Vitas-M small molecule compound

ethyl 2-{[(4-chlorophenyl)carbonyl]amino}-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate

Catalog ID
STK050038
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)Cl)sc(c1C)C(=O)Nc1ccccc1C

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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 C23H21ClN2O4S MW 456.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O4S/c1-4-30-23(29)18-14(3)19(21(28)25-17-8-6-5-7-13(17)2)31-22(18)26-20(27)15-9-11-16(24)12-10-15/h5-12H,4H2,1-3H3,(H,25,28)(H,26,27)
InChIKey
TWESVRYNOHVEHS-UHFFFAOYSA-N
Synonyms
312586-45-1
312586451
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=O)C3=CC=C(C=C3)Cl
CCOC(=O)c1c(NC(=O)c2ccc(cc2)Cl)sc(c1C)C(=O)Nc1ccccc1C
ETHYL2(((4CHLOROPHENYL)CARBONYL)AMINO)4METHYL5((2METHYLPHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATE
ETHYL2((4CHLOROBENZOYL)AMINO)4METHYL5((2METHYLPHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATE
ETHYL2((4CHLOROBENZOYL)AMINO)4METHYL5(2TOLUIDINOCARBONYL)3THIOPHENECARBOXYLATE
InChI=1SC23H21ClN2O4Sc143023(29)1814(3)19(21(28)2517865713(17)2)3122(18)2620(27)1591116(24)121015h512H4H213H3(H2528)(H2627)
MFCD01151492
STK050038
ZINC000000647561
ZINC00647561
ZINC647561

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Available files

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