Vitas-M small molecule compound
4-{3-[(E)-{[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK084112
SMILES O=C(c1c(/N=C/c2cc(n(c2C)c2ccc(cc2)C(=O)O)C)sc2c1CCCC2)NC1CCCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H33N3O3S MW 503.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3S/c1-18-16-21(19(2)32(18)23-14-12-20(13-15-23)29(34)35)17-30-28-26(24-10-6-7-11-25(24)36-28)27(33)31-22-8-4-3-5-9-22/h12-17,22H,3-11H2,1-2H3,(H,31,33)(H,34,35)/b30-17+InChIKey
AKQIDPHIYGINIJ-OCSSWDANSA-NSynonyms
4(3((E)((3(cyclohexylcarbamoyl)4567tetrahydro1benzothiophen2yl)imino)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
4(3((E)(3(cyclohexylcarbamoyl)4567tetrahydro1benzothiophen2yl)iminomethyl)25dimethylpyrrol1yl)benzoicacid
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=NC3=C(C4=C(S3)CCCC4)C(=O)NC5CCCCC5
InChI=1SC29H33N3O3Sc1181621(19(2)32(18)23141220(131523)29(34)35)17302826(2410671125(24)3628)27(33)31228435922h121722H311H212H3(H3133)(H3435)b3017+
MFCD04083461
O=C(c1c(N=Cc2cc(n(c2C)c2ccc(cc2)C(=O)O)C)sc2c1CCCC2)NC1CCCCC1
STK084112
ZINC000009680355
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