Vitas-M small molecule compound
5-cyano-6-({2-[(2-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885874
SMILES CCOc1ccccc1NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1OC)c1ccccc1
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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 C31H30N4O4S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O4S/c1-4-39-26-17-11-9-15-24(26)34-27(36)19-40-31-22(18-32)29(21-12-6-5-7-13-21)28(20(2)33-31)30(37)35-23-14-8-10-16-25(23)38-3/h5-17,29,33H,4,19H2,1-3H3,(H,34,36)(H,35,37)InChIKey
KMTSTZOIWVFHGT-UHFFFAOYSA-NSynonyms
5cyano6((2((2ethoxyphenyl)amino)2oxoethyl)sulfanyl)N(2methoxyphenyl)2methyl4phenyl14dihydropyridine3carboxamide
5cyano6(2(2ethoxyanilino)2oxoethyl)sulfanylN(2methoxyphenyl)2methyl4phenyl14dihydropyridine3carboxamide
CCOC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4)C#N
InChI=1SC31H30N4O4Sc143926171191524(26)3427(36)19403122(1832)29(21126571321)28(20(2)3331)30(37)3523148101625(23)383h5172933H419H213H3(H3436)(H3537)
MFCD10086423
ZINC000098048688
ZINC000098048689
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