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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).
Pyridines and derivatives (176)
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Thermo Scientific Chemicals Fluorescein

CAS: 2321-07-5 Molecular Formula: C20H12O5 Molecular Weight (g/mol): 332.31 MDL Number: MFCD00005050 InChI Key: GNBHRKFJIUUOQI-UHFFFAOYSA-N Synonym: fluorescein,solvent yellow 94,resorcinolphthalein,yellow fluorescein,3,6-fluorandiol,d and c yellow no. 7,fluoresceine,japan yellow 201,c.i. solvent yellow 94,d&c yellow no. 7 PubChem CID: 16850 ChEBI: CHEBI:31624 IUPAC Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

PubChem CID 16850
CAS 2321-07-5
Molecular Weight (g/mol) 332.31
ChEBI CHEBI:31624
MDL Number MFCD00005050
SMILES C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
Synonym fluorescein,solvent yellow 94,resorcinolphthalein,yellow fluorescein,3,6-fluorandiol,d and c yellow no. 7,fluoresceine,japan yellow 201,c.i. solvent yellow 94,d&c yellow no. 7
IUPAC Name 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI Key GNBHRKFJIUUOQI-UHFFFAOYSA-N
Molecular Formula C20H12O5
2

1-n-Octyl-2-pyrrolidone 98.0+%, TCI America™

CAS: 2687-94-7 Molecular Formula: C12H23NO Molecular Weight (g/mol): 197.32 MDL Number: MFCD00074965 InChI Key: WPPOGHDFAVQKLN-UHFFFAOYSA-N PubChem CID: 3033871 IUPAC Name: 1-octylpyrrolidin-2-one SMILES: CCCCCCCCN1CCCC1=O

PubChem CID 3033871
CAS 2687-94-7
Molecular Weight (g/mol) 197.32
MDL Number MFCD00074965
SMILES CCCCCCCCN1CCCC1=O
IUPAC Name 1-octylpyrrolidin-2-one
InChI Key WPPOGHDFAVQKLN-UHFFFAOYSA-N
Molecular Formula C12H23NO
3

Phenylthiohydantoin-(Nepsilon-phenylthiocarbamyl)-lysine 98.0+%, TCI America™

CAS: 29635-94-7 Molecular Formula: C20H22N4OS2 Molecular Weight (g/mol): 398.543 MDL Number: MFCD00151476 InChI Key: BUPYRERCBPFRFM-KRWDZBQOSA-N Synonym: PTH-(Nepsilon-PTC)-lysine PubChem CID: 1550115 IUPAC Name: 1-[4-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]butyl]-3-phenylthiourea SMILES: C1=CC=C(C=C1)NC(=S)NCCCCC2C(=O)N(C(=S)N2)C3=CC=CC=C3

PubChem CID 1550115
CAS 29635-94-7
Molecular Weight (g/mol) 398.543
MDL Number MFCD00151476
SMILES C1=CC=C(C=C1)NC(=S)NCCCCC2C(=O)N(C(=S)N2)C3=CC=CC=C3
Synonym PTH-(Nepsilon-PTC)-lysine
IUPAC Name 1-[4-[(4S)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]butyl]-3-phenylthiourea
InChI Key BUPYRERCBPFRFM-KRWDZBQOSA-N
Molecular Formula C20H22N4OS2
4
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7-Hydroxyindole, 95%

CAS: 2380-84-9 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 InChI Key: ORVPXPKEZLTMNW-UHFFFAOYSA-N Synonym: 7-hydroxyindole,7-indolol,7-hydroxy-1h-indole,indol-7-ol,7-hydroxy-indole,pubchem7345,7-hydroxylindole PubChem CID: 2737651 IUPAC Name: 1H-indol-7-ol SMILES: C1=CC2=C(C(=C1)O)NC=C2

PubChem CID 2737651
CAS 2380-84-9
Molecular Weight (g/mol) 133.15
SMILES C1=CC2=C(C(=C1)O)NC=C2
Synonym 7-hydroxyindole,7-indolol,7-hydroxy-1h-indole,indol-7-ol,7-hydroxy-indole,pubchem7345,7-hydroxylindole
IUPAC Name 1H-indol-7-ol
InChI Key ORVPXPKEZLTMNW-UHFFFAOYSA-N
Molecular Formula C8H7NO
5

6-Phenylisocytosine 98.0+%, TCI America™

CAS: 56741-94-7 Molecular Formula: C10H9N3O Molecular Weight (g/mol): 187.202 MDL Number: MFCD00466412 InChI Key: KXYGHDWFGFZJPJ-UHFFFAOYSA-N Synonym: 2-Amino-6-phenyl-4(1H)-pyrimidinone PubChem CID: 95891 IUPAC Name: 2-amino-6-phenyl-1H-pyrimidin-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)N=C(N2)N

PubChem CID 95891
CAS 56741-94-7
Molecular Weight (g/mol) 187.202
MDL Number MFCD00466412
SMILES C1=CC=C(C=C1)C2=CC(=O)N=C(N2)N
Synonym 2-Amino-6-phenyl-4(1H)-pyrimidinone
IUPAC Name 2-amino-6-phenyl-1H-pyrimidin-4-one
InChI Key KXYGHDWFGFZJPJ-UHFFFAOYSA-N
Molecular Formula C10H9N3O
6

6-Maleimidohexanehydrazide Trifluoroacetate 95.0+%, TCI America™

CAS: 151038-94-7 Molecular Formula: C12H16F3N3O5 Molecular Weight (g/mol): 339.27 MDL Number: MFCD07357647 InChI Key: DRURMGRBAVYWCL-UHFFFAOYSA-N Synonym: epsilon-Maleimidocaproyl Hydrazide Trifluoroacetate, EMCH PubChem CID: 23509306 IUPAC Name: 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide; trifluoroacetic acid SMILES: OC(=O)C(F)(F)F.NNC(=O)CCCCCN1C(=O)C=CC1=O

PubChem CID 23509306
CAS 151038-94-7
Molecular Weight (g/mol) 339.27
MDL Number MFCD07357647
SMILES OC(=O)C(F)(F)F.NNC(=O)CCCCCN1C(=O)C=CC1=O
Synonym epsilon-Maleimidocaproyl Hydrazide Trifluoroacetate, EMCH
IUPAC Name 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanehydrazide; trifluoroacetic acid
InChI Key DRURMGRBAVYWCL-UHFFFAOYSA-N
Molecular Formula C12H16F3N3O5
7

Ethyl (2-Amino-4-thiazolyl)acetate 98.0+%, TCI America™

CAS: 53266-94-7 Molecular Formula: C7H10N2O2S Molecular Weight (g/mol): 186.23 MDL Number: MFCD00005330 InChI Key: SHQNGLYXRFCPGZ-UHFFFAOYSA-N Synonym: ethyl 2-amino-4-thiazoleacetate,ethyl 2-2-aminothiazol-4-yl acetate,ethyl 2-2-amino-1,3-thiazol-4-yl acetate,ethyl 2-aminothiazole-4-acetate,ethyl 2-amino-1,3-thiazol-4-yl acetate,ethyl 2-aminothiazol-4-acetate,2-amino-4-thiazolyl acetic acid ethyl ester,4-thiazoleacetic acid, 2-amino-, ethyl ester,ethyl 2-amino-4-thiazolyl acetate PubChem CID: 104454 IUPAC Name: ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate SMILES: CCOC(=O)CC1=CSC(N)=N1

PubChem CID 104454
CAS 53266-94-7
Molecular Weight (g/mol) 186.23
MDL Number MFCD00005330
SMILES CCOC(=O)CC1=CSC(N)=N1
Synonym ethyl 2-amino-4-thiazoleacetate,ethyl 2-2-aminothiazol-4-yl acetate,ethyl 2-2-amino-1,3-thiazol-4-yl acetate,ethyl 2-aminothiazole-4-acetate,ethyl 2-amino-1,3-thiazol-4-yl acetate,ethyl 2-aminothiazol-4-acetate,2-amino-4-thiazolyl acetic acid ethyl ester,4-thiazoleacetic acid, 2-amino-, ethyl ester,ethyl 2-amino-4-thiazolyl acetate
IUPAC Name ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate
InChI Key SHQNGLYXRFCPGZ-UHFFFAOYSA-N
Molecular Formula C7H10N2O2S
8

2-Fluoro-4-iodo-5-methylpyridine 98.0+%, TCI America™

CAS: 153034-94-7 Molecular Formula: C6H5FIN Molecular Weight (g/mol): 237.016 MDL Number: MFCD03095297 InChI Key: BVKQLNXPPQEELX-UHFFFAOYSA-N Synonym: 2-fluoro-4-iodo-5-picoline,2-fluoro-4-iodo-5-methyl-pyridine,6-fluoro-4-iodo-b-picoline,6-fluoro-4-iodo-3-picoline,2-fluoro-4-iodo-5-methyl pyridine,pyridine,2-fluoro-4-iodo-5-methyl,pyridine, 2-fluoro-4-iodo-5-methyl,pubchem1305,acmc-20el7f,abbypharma ap-30-1289 PubChem CID: 10060052 IUPAC Name: 2-fluoro-4-iodo-5-methylpyridine SMILES: CC1=CN=C(C=C1I)F

PubChem CID 10060052
CAS 153034-94-7
Molecular Weight (g/mol) 237.016
MDL Number MFCD03095297
SMILES CC1=CN=C(C=C1I)F
Synonym 2-fluoro-4-iodo-5-picoline,2-fluoro-4-iodo-5-methyl-pyridine,6-fluoro-4-iodo-b-picoline,6-fluoro-4-iodo-3-picoline,2-fluoro-4-iodo-5-methyl pyridine,pyridine,2-fluoro-4-iodo-5-methyl,pyridine, 2-fluoro-4-iodo-5-methyl,pubchem1305,acmc-20el7f,abbypharma ap-30-1289
IUPAC Name 2-fluoro-4-iodo-5-methylpyridine
InChI Key BVKQLNXPPQEELX-UHFFFAOYSA-N
Molecular Formula C6H5FIN
9
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7-Chloropyrazolo[1,5-a]pyrimidine, 95%

CAS: 58347-49-2 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.57 MDL Number: MFCD04035684 InChI Key: YCZQHXPIKQHABJ-UHFFFAOYSA-N Synonym: 7-chloropyrazolo 1,5-a pyrimidine,pyrazolo 1,5-a pyrimidine, 7-chloro,7-chloro-pyrazolo 1,5-a pyrimidine,zlchem 1087,7-chloropyrazolo 1?5-a pyrimidine,7-chloranylpyrazolo 1,5-a pyrimidine,7-chloro-8-hydropyrazolo 1,5-a pyrimidine PubChem CID: 12281647 IUPAC Name: 7-chloropyrazolo[1,5-a]pyrimidine SMILES: C1=C2N=CC=C(N2N=C1)Cl

PubChem CID 12281647
CAS 58347-49-2
Molecular Weight (g/mol) 153.57
MDL Number MFCD04035684
SMILES C1=C2N=CC=C(N2N=C1)Cl
Synonym 7-chloropyrazolo 1,5-a pyrimidine,pyrazolo 1,5-a pyrimidine, 7-chloro,7-chloro-pyrazolo 1,5-a pyrimidine,zlchem 1087,7-chloropyrazolo 1?5-a pyrimidine,7-chloranylpyrazolo 1,5-a pyrimidine,7-chloro-8-hydropyrazolo 1,5-a pyrimidine
IUPAC Name 7-chloropyrazolo[1,5-a]pyrimidine
InChI Key YCZQHXPIKQHABJ-UHFFFAOYSA-N
Molecular Formula C6H4ClN3
10
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3-Thiophenecarbonitrile, 94%, Thermo Scientific™

CAS: 1641-09-4 Molecular Formula: C5H3NS Molecular Weight (g/mol): 109.15 MDL Number: MFCD00151852 InChI Key: GSXCEVHRIVLFJV-UHFFFAOYSA-N Synonym: 3-cyanothiophene,3-thiophenecarbonitrile,thiophene-3-nitrile,pubchem5508,pubchem12351,acmc-209dqk,ksc176g4h PubChem CID: 74231 IUPAC Name: thiophene-3-carbonitrile SMILES: C1=CSC=C1C#N

PubChem CID 74231
CAS 1641-09-4
Molecular Weight (g/mol) 109.15
MDL Number MFCD00151852
SMILES C1=CSC=C1C#N
Synonym 3-cyanothiophene,3-thiophenecarbonitrile,thiophene-3-nitrile,pubchem5508,pubchem12351,acmc-209dqk,ksc176g4h
IUPAC Name thiophene-3-carbonitrile
InChI Key GSXCEVHRIVLFJV-UHFFFAOYSA-N
Molecular Formula C5H3NS
11

Mianserin hydrochloride

CAS: 21535-47-7 Molecular Formula: C18H21ClN2 Molecular Weight (g/mol): 300.83 MDL Number: MFCD00055072 InChI Key: YNPFMWCWRVTGKJ-UHFFFAOYNA-N Synonym: mianserin hydrochloride,mianserine hydrochloride,mianserin hcl,athymil,bolvidon,tolvon,tolvin,org gb 94,lerivon PubChem CID: 68551 ChEBI: CHEBI:31843 IUPAC Name: hydrogen 5-methyl-2,5-diazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),8,10,12,15,17-hexaene chloride SMILES: [H+].[Cl-].CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21

PubChem CID 68551
CAS 21535-47-7
Molecular Weight (g/mol) 300.83
ChEBI CHEBI:31843
MDL Number MFCD00055072
SMILES [H+].[Cl-].CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21
Synonym mianserin hydrochloride,mianserine hydrochloride,mianserin hcl,athymil,bolvidon,tolvon,tolvin,org gb 94,lerivon
IUPAC Name hydrogen 5-methyl-2,5-diazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),8,10,12,15,17-hexaene chloride
InChI Key YNPFMWCWRVTGKJ-UHFFFAOYNA-N
Molecular Formula C18H21ClN2
12

3-O-methyl-D-glucose, 99.1%, MP Biomedicals™

CAS: 13224-94-7 Molecular Formula: C7H14O6 Molecular Weight (g/mol): 194.18 MDL Number: MFCD00063266 InChI Key: SCBBSJMAPKXHAH-OVHBTUCOSA-N Synonym: 3-o-methyl-alpha-d-glucopyranose,3-o-methyl-a-d-glucopyranose,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxytetrahydro-2h-pyran-2,3,5-triol,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxyoxane-2,3,5-triol,3-o-methyl-,a-d-glucopyranose,3-o-methyl-alpha-d-glucose,a-d-glucopyranose,3-o-methyl,alpha-d-glucopyranose, 3-o-methyl,3-o-methyl-d-glucopyranose PubChem CID: 83246 IUPAC Name: (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol SMILES: CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O

PubChem CID 83246
CAS 13224-94-7
Molecular Weight (g/mol) 194.18
MDL Number MFCD00063266
SMILES CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
Synonym 3-o-methyl-alpha-d-glucopyranose,3-o-methyl-a-d-glucopyranose,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxytetrahydro-2h-pyran-2,3,5-triol,2s,3r,4s,5r,6r-6-hydroxymethyl-4-methoxyoxane-2,3,5-triol,3-o-methyl-,a-d-glucopyranose,3-o-methyl-alpha-d-glucose,a-d-glucopyranose,3-o-methyl,alpha-d-glucopyranose, 3-o-methyl,3-o-methyl-d-glucopyranose
IUPAC Name (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
InChI Key SCBBSJMAPKXHAH-OVHBTUCOSA-N
Molecular Formula C7H14O6
13

7-Aminocephalosporanic acid, 95-102%

CAS: 957-68-6 Molecular Formula: C10H12N2O5S Molecular Weight (g/mol): 272.27 MDL Number: MFCD00005177 InChI Key: HSHGZXNAXBPPDL-HZGVNTEJSA-N Synonym: 7-aminocephalosporanic acid,7-aca,7-aminocephalosporinic acid,7beta-aminocephalosporanic acid,7-acs,unii-9xi67897rg,7r-7-aminocephalosporanic acid,7r-7-aminocephalosporanate,cephalosporanic acid, 7-amino,6r,7r-3-acetoxymethyl-7-amino-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid PubChem CID: 441328 ChEBI: CHEBI:2255 IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O

PubChem CID 441328
CAS 957-68-6
Molecular Weight (g/mol) 272.27
ChEBI CHEBI:2255
MDL Number MFCD00005177
SMILES CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O
Synonym 7-aminocephalosporanic acid,7-aca,7-aminocephalosporinic acid,7beta-aminocephalosporanic acid,7-acs,unii-9xi67897rg,7r-7-aminocephalosporanic acid,7r-7-aminocephalosporanate,cephalosporanic acid, 7-amino,6r,7r-3-acetoxymethyl-7-amino-8-oxo-5-thia-1-azabicyclo 4.2.0 oct-2-ene-2-carboxylic acid
IUPAC Name (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI Key HSHGZXNAXBPPDL-HZGVNTEJSA-N
Molecular Formula C10H12N2O5S
14

Mianserin Hydrochloride 98.0+%, TCI America™

CAS: 21535-47-7 Molecular Formula: C18H21ClN2 Molecular Weight (g/mol): 300.83 MDL Number: MFCD00055072 InChI Key: YNPFMWCWRVTGKJ-UHFFFAOYNA-N Synonym: mianserin hydrochloride,mianserine hydrochloride,mianserin hcl,athymil,bolvidon,tolvon,tolvin,org gb 94,lerivon PubChem CID: 68551 ChEBI: CHEBI:31843 IUPAC Name: hydrogen 5-methyl-2,5-diazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),8,10,12,15,17-hexaene chloride SMILES: [H+].[Cl-].CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21

PubChem CID 68551
CAS 21535-47-7
Molecular Weight (g/mol) 300.83
ChEBI CHEBI:31843
MDL Number MFCD00055072
SMILES [H+].[Cl-].CN1CCN2C(C1)C1=CC=CC=C1CC1=CC=CC=C21
Synonym mianserin hydrochloride,mianserine hydrochloride,mianserin hcl,athymil,bolvidon,tolvon,tolvin,org gb 94,lerivon
IUPAC Name hydrogen 5-methyl-2,5-diazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),8,10,12,15,17-hexaene chloride
InChI Key YNPFMWCWRVTGKJ-UHFFFAOYNA-N
Molecular Formula C18H21ClN2
15

Imidazole, MP Biomedicals™

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

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