Vitas-M small molecule compound
benzyl 6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-[4-(propan-2-yl)phenyl]-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK538124
SMILES N#CC1=C(SCC(=O)Nc2cc(OC)c(cc2OC)Cl)NC(=C(C1c1ccc(cc1)C(C)C)C(=O)OCc1ccccc1)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 C34H34ClN3O5S MW 632.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34ClN3O5S/c1-20(2)23-11-13-24(14-12-23)32-25(17-36)33(37-21(3)31(32)34(40)43-18-22-9-7-6-8-10-22)44-19-30(39)38-27-16-28(41-4)26(35)15-29(27)42-5/h6-16,20,32,37H,18-19H2,1-5H3,(H,38,39)InChIKey
MSXSANJJWCDZJG-UHFFFAOYSA-NSynonyms
benzyl6((2((4chloro25dimethoxyphenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl4(4(propan2yl)phenyl)14dihydropyridine3carboxylate
benzyl6((2((4chloro25dimethoxyphenyl)amino)2oxoethyl)thio)5cyano4(4isopropylphenyl)2methyl14dihydropyridine3carboxylate
BENZYL6(2(4CHLORO25DIMETHOXYANILINO)2OXOETHYL)SULFANYL5CYANO2METHYL4(4PROPAN2YLPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=C(C=C2OC)Cl)OC)C#N)C3=CC=C(C=C3)C(C)C)C(=O)OCC4=CC=CC=C4
InChI=1SC34H34ClN3O5Sc120(2)23111324(141223)3225(1736)33(3721(3)31(32)34(40)43182297681022)441930(39)38271628(414)26(35)1529(27)425h616203237H1819H215H3(H3839)
MFCD03000702
ZINC000102422471
ZINC000102422473
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