Vitas-M small molecule compound

ethyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(phenylcarbonyl)amino]thiophene-3-carboxylate

Catalog ID
STK044734
SMILES CCOC(=O)c1c(NC(=O)c2ccccc2)sc(c1C)C(=O)Nc1cccc(c1)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 C22H19ClN2O4S MW 442.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O4S/c1-3-29-22(28)17-13(2)18(20(27)24-16-11-7-10-15(23)12-16)30-21(17)25-19(26)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3,(H,24,27)(H,25,26)
InChIKey
HWGBZQVVUQTJTP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3=CC=CC=C3
CCOC(=O)c1c(NC(=O)c2ccccc2)sc(c1C)C(=O)Nc1cccc(c1)Cl
ETHYL2(BENZOYLAMINO)5((3CHLOROANILINO)CARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2BENZAMIDO5((3CHLOROPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5((3CHLOROPHENYL)CARBAMOYL)4METHYL2((PHENYLCARBONYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5(N(3CHLOROPHENYL)CARBAMOYL)4METHYL2(PHENYLCARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H19ClN2O4Sc132922(28)1713(2)18(20(27)24161171015(23)1216)3021(17)2519(26)148546914h412H3H212H3(H2427)(H2526)
MFCD01130411
STK044734
ZINC000000729263
ZINC00729263
ZINC729263

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Available files

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