Vitas-M small molecule compound
5-cyano-4-(2-ethoxyphenyl)-2-methyl-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK764668
SMILES CCOc1ccccc1C1C(=C(SCC(=O)Nc2ccc(cc2)C)NC(=C1C(=O)Nc1ccccc1)C)C#N
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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 C31H30N4O3S MW 538.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O3S/c1-4-38-26-13-9-8-12-24(26)29-25(18-32)31(39-19-27(36)34-23-16-14-20(2)15-17-23)33-21(3)28(29)30(37)35-22-10-6-5-7-11-22/h5-17,29,33H,4,19H2,1-3H3,(H,34,36)(H,35,37)InChIKey
CRTKMHJLTFFMHT-UHFFFAOYSA-NSynonyms
5cyano4(2ethoxyphenyl)2methyl6((2((4methylphenyl)amino)2oxoethyl)sulfanyl)Nphenyl14dihydropyridine3carboxamide
5cyano4(2ethoxyphenyl)2methyl6((2oxo2(ptolylamino)ethyl)thio)Nphenyl14dihydropyridine3carboxamide
5CYANO4(2ETHOXYPHENYL)2METHYL6(2(4METHYLANILINO)2OXOETHYL)SULFANYLNPHENYL14DIHYDROPYRIDINE3CARBOXAMIDE
CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC(=O)NC4=CC=C(C=C4)C)C#N
InChI=1SC31H30N4O3Sc14382613981224(26)2925(1832)31(391927(36)3423161420(2)151723)3321(3)28(29)30(37)3522106571122h5172933H419H213H3(H3436)(H3537)
MFCD02237510
ZINC000097950462
ZINC000097950463
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