Vitas-M small molecule compound

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

Catalog ID
STK885838
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccc(cc1Cl)Cl)c1ccco1

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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 C29H24Cl2N4O5S MW 611.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24Cl2N4O5S/c1-3-39-29(38)17-6-9-19(10-7-17)34-24(36)15-41-28-20(14-32)26(23-5-4-12-40-23)25(16(2)33-28)27(37)35-22-11-8-18(30)13-21(22)31/h4-13,26,33H,3,15H2,1-2H3,(H,34,36)(H,35,37)
InChIKey
PJBHQQIKVVUMJC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=C(C=C(C=C3)Cl)Cl)C4=CC=CO4)C#N
ethyl4((((3cyano5((24dichlorophenyl)carbamoyl)4(furan2yl)6methyl14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((3cyano5((24dichlorophenyl)carbamoyl)4(furan2yl)6methyl14dihydropyridin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC29H24Cl2N4O5Sc133929(38)176919(10717)3424(36)15412820(1432)26(2354124023)25(16(2)3328)27(37)352211818(30)1321(22)31h4132633H315H212H3(H3436)(H3537)
MFCD10086376
ZINC000098048624
ZINC000098048625

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Available files

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