Vitas-M small molecule compound
5-cyano-4-(2-fluorophenyl)-2-methyl-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK887291
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)C)NC(=C(C1c1ccccc1F)C(=O)Nc1ccccc1)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 C29H25FN4O2S MW 512.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN4O2S/c1-18-9-8-12-21(15-18)33-25(35)17-37-29-23(16-31)27(22-13-6-7-14-24(22)30)26(19(2)32-29)28(36)34-20-10-4-3-5-11-20/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)InChIKey
KNMDIPANLFGQSR-UHFFFAOYSA-NSynonyms
5cyano4(2fluorophenyl)2methyl6((2((3methylphenyl)amino)2oxoethyl)sulfanyl)Nphenyl14dihydropyridine3carboxamide
5cyano4(2fluorophenyl)2methyl6(2(3methylanilino)2oxoethyl)sulfanylNphenyl14dihydropyridine3carboxamide
CC1=CC(=CC=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4F)C#N
InChI=1SC29H25FN4O2Sc118981221(1518)3325(35)17372923(1631)27(2213671424(22)30)26(19(2)3229)28(36)3420104351120h3152732H17H212H3(H3335)(H3436)
MFCD10088161
ZINC000020348608
ZINC000020348610
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