Vitas-M small molecule compound
benzyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(2-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826604
SMILES N#CC1=C(SCC(=O)Nc2ccccc2CC)NC(=C(C1c1ccccc1Cl)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 C31H28ClN3O3S MW 558.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O3S/c1-3-22-13-7-10-16-26(22)35-27(36)19-39-30-24(17-33)29(23-14-8-9-15-25(23)32)28(20(2)34-30)31(37)38-18-21-11-5-4-6-12-21/h4-16,29,34H,3,18-19H2,1-2H3,(H,35,36)InChIKey
BVJRGGMPVVSKAT-UHFFFAOYSA-NSynonyms
benzyl4(2chlorophenyl)5cyano6((2((2ethylphenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(2chlorophenyl)5cyano6(2(2ethylanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
CCC1=CC=CC=C1NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4Cl)C#N
InChI=1SC31H28ClN3O3Sc1322137101626(22)3527(36)19393024(1733)29(2314891525(23)32)28(20(2)3430)31(37)381821115461221h4162934H31819H212H3(H3536)
MFCD10574635
ZINC000101554694
ZINC000101554700
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