Vitas-M small molecule compound

ethyl 4-[({[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK885657
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)C)c1ccc(cc1)Cl

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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 C26H24ClN3O4S MW 510.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O4S/c1-4-34-26(33)18-7-11-20(12-8-18)30-22(32)14-35-25-21(13-28)24(17-5-9-19(27)10-6-17)23(16(3)31)15(2)29-25/h5-12,24,29H,4,14H2,1-3H3,(H,30,32)
InChIKey
BVTRUMQCDLAFAG-UHFFFAOYSA-N
Synonyms
897832-93-8
897832938
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)C)C3=CC=C(C=C3)Cl)C#N
ethyl4((((5acetyl4(4chlorophenyl)3cyano6methyl14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((5acetyl4(4chlorophenyl)3cyano6methyl14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
ETHYL4(2((5ACETYL4(4CHLOROPHENYL)3CYANO6METHYL14DIHYDROPYRIDIN2YL)THIO)ACETAMIDO)BENZOATE
InChI=1SC26H24ClN3O4Sc143426(33)1871120(12818)3022(32)14352521(1328)24(175919(27)10617)23(16(3)31)15(2)2925h5122429H414H213H3(H3032)
MFCD07654833
ZINC000020347471
ZINC000020347472

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.