Vitas-M small molecule compound
5-cyano-4-(2-fluorophenyl)-N-(2-methoxyphenyl)-2-methyl-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK827687
SMILES N#CC1=C(SCC(=O)Nc2ccccc2)NC(=C(C1c1ccccc1F)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 C29H25FN4O3S MW 528.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN4O3S/c1-18-26(28(36)34-23-14-8-9-15-24(23)37-2)27(20-12-6-7-13-22(20)30)21(16-31)29(32-18)38-17-25(35)33-19-10-4-3-5-11-19/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)InChIKey
QPGDKIXJDWEOGX-UHFFFAOYSA-NSynonyms
5cyano4(2fluorophenyl)N(2methoxyphenyl)2methyl6((2oxo2(phenylamino)ethyl)sulfanyl)14dihydropyridine3carboxamide
6(2anilino2oxoethyl)sulfanyl5cyano4(2fluorophenyl)N(2methoxyphenyl)2methyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4OC
InChI=1SC29H25FN4O3Sc11826(28(36)342314891524(23)372)27(2012671322(20)30)21(1631)29(3218)381725(35)3319104351119h3152732H17H212H3(H3335)(H3436)
MFCD10088183
ZINC000102719267
ZINC000102719270
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