Vitas-M small molecule compound
5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885878
SMILES N#CC1=C(SCC(=O)NC2CCCCC2)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C
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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 C29H32N4O3S MW 516.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O3S/c1-19-26(28(35)33-23-15-9-10-16-24(23)36-2)27(20-11-5-3-6-12-20)22(17-30)29(31-19)37-18-25(34)32-21-13-7-4-8-14-21/h3,5-6,9-12,15-16,21,27,31H,4,7-8,13-14,18H2,1-2H3,(H,32,34)(H,33,35)InChIKey
NULFVFBAGPBFTO-UHFFFAOYSA-NSynonyms
5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)N(2methoxyphenyl)2methyl4phenyl14dihydropyridine3carboxamide
5cyano6(2(cyclohexylamino)2oxoethyl)sulfanylN(2methoxyphenyl)2methyl4phenyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC
InChI=1SC29H32N4O3Sc11926(28(35)3323159101624(23)362)27(20115361220)22(1730)29(3119)371825(34)3221137481421h3569121516212731H478131418H212H3(H3234)(H3335)
MFCD10086426
ZINC000012250220
ZINC000012250221
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