Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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Thermo Scientific Chemicals Thiazolyl Blue tetrazolium bromide, 98%

CAS: 298-93-1 Molecular Formula: C18H16BrN5S Molecular Weight (g/mol): 414.33 MDL Number: MFCD00011964,MFCD00066662 InChI Key: AZKSAVLVSZKNRD-UHFFFAOYSA-M Synonym: thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i PubChem CID: 64965 ChEBI: CHEBI:53233 IUPAC Name: 2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide SMILES: [Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID	64965
CAS	298-93-1
Molecular Weight (g/mol)	414.33
ChEBI	CHEBI:53233
MDL Number	MFCD00011964,MFCD00066662
SMILES	[Br-].CC1=C(C)N=C(S1)[N+]1=NC(=NN1C1=CC=CC=C1)C1=CC=CC=C1
Synonym	thiazolyl blue,thiazolyl blue tetrazolium bromide,mmt tetrazolium,methylthiazoletetrazolium,mtt,thiazolyl blue monotetrazolium,thiazole blue,3-4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide,mtt van,unii-euy85h477i
IUPAC Name	2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole;bromide
InChI Key	AZKSAVLVSZKNRD-UHFFFAOYSA-M
Molecular Formula	C18H16BrN5S

Thermo Scientific Chemicals Phenolphthalein, 98%

CAS: 77-09-8 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00005913 InChI Key: KJFMBFZCATUALV-UHFFFAOYSA-N Synonym: phenolphthalein,phthalimetten,euchessina,phthalin,espotabs,phenolax,purgophen,koprol,laxogen,trilax PubChem CID: 4764 ChEBI: CHEBI:34914 SMILES: OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1

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PubChem CID	4764
CAS	77-09-8
Molecular Weight (g/mol)	318.33
ChEBI	CHEBI:34914
MDL Number	MFCD00005913
SMILES	OC1=CC=C(C=C1)C1(OC(=O)C2=CC=CC=C12)C1=CC=C(O)C=C1
Synonym	phenolphthalein,phthalimetten,euchessina,phthalin,espotabs,phenolax,purgophen,koprol,laxogen,trilax
InChI Key	KJFMBFZCATUALV-UHFFFAOYSA-N
Molecular Formula	C20H14O4

Serotonin hydrochloride, 98%, Thermo Scientific Chemicals

CAS: 153-98-0 Molecular Formula: C10H13ClN2O Molecular Weight (g/mol): 212.677 MDL Number: MFCD00012686 InChI Key: MDIGAZPGKJFIAH-UHFFFAOYSA-N Synonym: serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride PubChem CID: 160436 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl

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PubChem CID	160436
CAS	153-98-0
Molecular Weight (g/mol)	212.677
MDL Number	MFCD00012686
SMILES	C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
Synonym	serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride
IUPAC Name	3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride
InChI Key	MDIGAZPGKJFIAH-UHFFFAOYSA-N
Molecular Formula	C10H13ClN2O

Caffeine, 99%, Thermo Scientific Chemicals

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

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PubChem CID	2519
CAS	58-08-2
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:27732
MDL Number	MFCD00005758
SMILES	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula	C8H10N4O2

1,8-Diazabicyclo[5.4.0]undec-7-ene, 98+%, Thermo Scientific Chemicals

CAS: 6674-22-2 Molecular Formula: C9H16N2 Molecular Weight (g/mol): 152.241 MDL Number: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Synonym: 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1

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PubChem CID	81184
CAS	6674-22-2
Molecular Weight (g/mol)	152.241
MDL Number	MFCD00006930
SMILES	C1CCC2=NCCCN2CC1
Synonym	1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene
IUPAC Name	2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
InChI Key	GQHTUMJGOHRCHB-UHFFFAOYSA-N
Molecular Formula	C9H16N2

Thermo Scientific Chemicals D(+)-Biotin, 98%

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

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PubChem CID	171548
CAS	58-85-5
Molecular Weight (g/mol)	244.31
ChEBI	CHEBI:15956
MDL Number	MFCD00005541
SMILES	OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym	biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name	5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI Key	YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula	C10H16N2O3S

Imidazole, 99%, Thermo Scientific Chemicals

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1

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PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%

CAS: 67-03-8 Molecular Formula: C₁₂H₁₇ClN₄OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

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PubChem CID	6202
CAS	67-03-8
Molecular Weight (g/mol)	337.26
ChEBI	CHEBI:49105
MDL Number	MFCD00012780
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym	thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key	DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula	C₁₂H₁₇ClN₄OS·HCl

Thermo Scientific Chemicals Cycloheximide, 95%

CAS: 66-81-9 Molecular Formula: C15H23NO4 Molecular Weight (g/mol): 281.35 MDL Number: MFCD00082346 InChI Key: YPHMISFOHDHNIV-QTEFRXOUNA-N Synonym: cycloheximide,actidione,cycloheximide,naramycin a,kaken,actidion,actidone,hizarocin,naramycin,neocycloheximide PubChem CID: 6197 ChEBI: CHEBI:27641 IUPAC Name: 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione SMILES: [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1

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PubChem CID	6197
CAS	66-81-9
Molecular Weight (g/mol)	281.35
ChEBI	CHEBI:27641
MDL Number	MFCD00082346
SMILES	[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
Synonym	cycloheximide,actidione,cycloheximide,naramycin a,kaken,actidion,actidone,hizarocin,naramycin,neocycloheximide
IUPAC Name	4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
InChI Key	YPHMISFOHDHNIV-QTEFRXOUNA-N
Molecular Formula	C15H23NO4

Maleic anhydride, 99%, pastilles, Thermo Scientific Chemicals

CAS: 108-31-6 Molecular Formula: C4H2O3 Molecular Weight (g/mol): 98.06 MDL Number: MFCD00005518 InChI Key: FPYJFEHAWHCUMM-UHFFFAOYSA-N Synonym: maleic anhydride,2,5-furandione,maleic acid anhydride,toxilic anhydride,dihydro-2,5-dioxofuran,cis-butenedioic anhydride,2,5-dihydrofuran-2,5-dione,polymaleic anhydride,maleinanhydrid,rcra waste number u147 PubChem CID: 7923 ChEBI: CHEBI:474859 SMILES: O=C1OC(=O)C=C1

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PubChem CID	7923
CAS	108-31-6
Molecular Weight (g/mol)	98.06
ChEBI	CHEBI:474859
MDL Number	MFCD00005518
SMILES	O=C1OC(=O)C=C1
Synonym	maleic anhydride,2,5-furandione,maleic acid anhydride,toxilic anhydride,dihydro-2,5-dioxofuran,cis-butenedioic anhydride,2,5-dihydrofuran-2,5-dione,polymaleic anhydride,maleinanhydrid,rcra waste number u147
InChI Key	FPYJFEHAWHCUMM-UHFFFAOYSA-N
Molecular Formula	C4H2O3

Imidazole, 99%, Thermo Scientific Chemicals

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PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

Caffeine, 99.7%, Thermo Scientific Chemicals

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PubChem CID	2519
CAS	58-08-2
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:27732
MDL Number	MFCD00005758
SMILES	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name	1,3,7-trimethylpurine-2,6-dione
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula	C8H10N4O2

Phthalic anhydride, ACS reagent, Thermo Scientific Chemicals

CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.12 MDL Number: MFCD00005918 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N Synonym: phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen PubChem CID: 6811 ChEBI: CHEBI:36605 SMILES: O=C1OC(=O)C2=CC=CC=C12

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PubChem CID	6811
CAS	85-44-9
Molecular Weight (g/mol)	148.12
ChEBI	CHEBI:36605
MDL Number	MFCD00005918
SMILES	O=C1OC(=O)C2=CC=CC=C12
Synonym	phthalic anhydride,isobenzofuran-1,3-dione,1,3-isobenzofurandione,1,3-dioxophthalan,1,3-phthalandione,phthalsaeureanhydrid,phthalic acid anhydride,o-phthalic acid anhydride,phthalandione,retarder esen
InChI Key	LGRFSURHDFAFJT-UHFFFAOYSA-N
Molecular Formula	C8H4O3

Barbituric acid, 99%, Thermo Scientific Chemicals

CAS: 67-52-7 Molecular Formula: C4H4N2O3 Molecular Weight (g/mol): 128.09 MDL Number: MFCD00006666 InChI Key: HNYOPLTXPVRDBG-UHFFFAOYSA-N Synonym: barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff PubChem CID: 6211 ChEBI: CHEBI:16294 IUPAC Name: 1,3-diazinane-2,4,6-trione SMILES: O=C1CC(=O)NC(=O)N1

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PubChem CID	6211
CAS	67-52-7
Molecular Weight (g/mol)	128.09
ChEBI	CHEBI:16294
MDL Number	MFCD00006666
SMILES	O=C1CC(=O)NC(=O)N1
Synonym	barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff
IUPAC Name	1,3-diazinane-2,4,6-trione
InChI Key	HNYOPLTXPVRDBG-UHFFFAOYSA-N
Molecular Formula	C4H4N2O3

Pyridoxine hydrochloride, 99%, Thermo Scientific Chemicals

CAS: 58-56-0 Molecular Formula: C8H12ClNO3 Molecular Weight (g/mol): 205.638 MDL Number: MFCD00012807 InChI Key: ZUFQODAHGAHPFQ-UHFFFAOYSA-N Synonym: pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion PubChem CID: 6019 ChEBI: CHEBI:30961 IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride SMILES: CC1=NC=C(C(=C1O)CO)CO.Cl

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Specifications

PubChem CID	6019
CAS	58-56-0
Molecular Weight (g/mol)	205.638
ChEBI	CHEBI:30961
MDL Number	MFCD00012807
SMILES	CC1=NC=C(C(=C1O)CO)CO.Cl
Synonym	pyridoxine hydrochloride,pyridoxine hcl,pyridoxol hydrochloride,vitamin b6,alestrol,becilan,benadon,hexavibex,hexermin,hexobion
IUPAC Name	4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
InChI Key	ZUFQODAHGAHPFQ-UHFFFAOYSA-N
Molecular Formula	C8H12ClNO3

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