Vitas-M small molecule compound
6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(4-chlorophenyl)-5-cyano-4-(2-fluorophenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK887217
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)NC(=C(C1c1ccccc1F)C(=O)Nc1ccc(cc1)Cl)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 C29H24ClFN4O2S MW 547.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClFN4O2S/c1-18-26(28(37)35-21-13-11-20(30)12-14-21)27(22-9-5-6-10-24(22)31)23(15-32)29(34-18)38-17-25(36)33-16-19-7-3-2-4-8-19/h2-14,27,34H,16-17H2,1H3,(H,33,36)(H,35,37)InChIKey
MKNOPVHTHDQDOI-UHFFFAOYSA-NSynonyms
6((2(benzylamino)2oxoethyl)sulfanyl)N(4chlorophenyl)5cyano4(2fluorophenyl)2methyl14dihydropyridine3carboxamide
6(2(benzylamino)2oxoethyl)sulfanylN(4chlorophenyl)5cyano4(2fluorophenyl)2methyl14dihydropyridine3carboxamide
CC1=C(C(C(=C(N1)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=CC=C3F)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC29H24ClFN4O2Sc11826(28(37)3521131120(30)121421)27(229561024(22)31)23(1532)29(3418)381725(36)3316197324819h2142734H1617H21H3(H3336)(H3537)
MFCD10088048
ZINC000102810232
ZINC000102810234
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