Vitas-M small molecule compound
benzyl 6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826374
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2C)Cl)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 C30H25Cl2N3O3S MW 578.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl2N3O3S/c1-18-24(32)9-6-10-25(18)35-26(36)17-39-29-23(15-33)28(21-11-13-22(31)14-12-21)27(19(2)34-29)30(37)38-16-20-7-4-3-5-8-20/h3-14,28,34H,16-17H2,1-2H3,(H,35,36)InChIKey
TZBATZATDOZWFX-UHFFFAOYSA-NSynonyms
benzyl6((2((3chloro2methylphenyl)amino)2oxoethyl)sulfanyl)4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
benzyl6(2(3chloro2methylanilino)2oxoethyl)sulfanyl4(4chlorophenyl)5cyano2methyl14dihydropyridine3carboxylate
CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C#N
InChI=1SC30H25Cl2N3O3Sc11824(32)961025(18)3526(36)17392923(1533)28(21111322(31)141221)27(19(2)3429)30(37)3816207435820h3142834H1617H212H3(H3536)
MFCD10086261
ZINC000101555333
ZINC000101555337
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