Vitas-M small molecule compound
6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-fluorophenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK827684
SMILES N#CC1=C(SCC(=O)Nc2ccc(c(c2)Cl)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 C29H24ClFN4O2S MW 547.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClFN4O2S/c1-17-12-13-20(14-23(17)30)34-25(36)16-38-29-22(15-32)27(21-10-6-7-11-24(21)31)26(18(2)33-29)28(37)35-19-8-4-3-5-9-19/h3-14,27,33H,16H2,1-2H3,(H,34,36)(H,35,37)InChIKey
RNKWBDGDUQQOAS-UHFFFAOYSA-NSynonyms
6((2((3chloro4methylphenyl)amino)2oxoethyl)sulfanyl)5cyano4(2fluorophenyl)2methylNphenyl14dihydropyridine3carboxamide
6(2(3chloro4methylanilino)2oxoethyl)sulfanyl5cyano4(2fluorophenyl)2methylNphenyl14dihydropyridine3carboxamide
CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4F)C#N)Cl
InChI=1SC29H24ClFN4O2Sc117121320(1423(17)30)3425(36)16382922(1532)27(2110671124(21)31)26(18(2)3329)28(37)35198435919h3142733H16H212H3(H3436)(H3537)
MFCD10088180
ZINC000102809942
ZINC000102809944
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