Vitas-M small molecule compound
benzyl 4-(4-chlorophenyl)-5-cyano-6-[(2-{[2-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826501
SMILES N#CC1=C(SCC(=O)Nc2ccccc2C(=O)OC)NC(=C(C1c1ccc(cc1)Cl)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 C31H26ClN3O5S MW 588.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26ClN3O5S/c1-19-27(31(38)40-17-20-8-4-3-5-9-20)28(21-12-14-22(32)15-13-21)24(16-33)29(34-19)41-18-26(36)35-25-11-7-6-10-23(25)30(37)39-2/h3-15,28,34H,17-18H2,1-2H3,(H,35,36)InChIKey
NBVUJAKCAATPMX-UHFFFAOYSA-NSynonyms
benzyl4(4chlorophenyl)5cyano6((2((2(methoxycarbonyl)phenyl)amino)2oxoethyl)sulfanyl)2methyl14dihydropyridine3carboxylate
benzyl4(4chlorophenyl)5cyano6(2(2methoxycarbonylanilino)2oxoethyl)sulfanyl2methyl14dihydropyridine3carboxylate
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2C(=O)OC)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4
InChI=1SC31H26ClN3O5Sc11927(31(38)4017208435920)28(21121422(32)151321)24(1633)29(3419)411826(36)352511761023(25)30(37)392h3152834H1718H212H3(H3536)
MFCD10086447
ZINC000098048721
ZINC000098048722
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