Vitas-M small molecule compound

methyl 3-[{2-[(4-methylphenyl)amino]-2-oxoethyl}(phenyl)sulfamoyl]thiophene-2-carboxylate

Catalog ID
STL095600
SMILES COC(=O)c1sccc1S(=O)(=O)N(c1ccccc1)CC(=O)Nc1ccc(cc1)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 C21H20N2O5S2 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S2/c1-15-8-10-16(11-9-15)22-19(24)14-23(17-6-4-3-5-7-17)30(26,27)18-12-13-29-20(18)21(25)28-2/h3-13H,14H2,1-2H3,(H,22,24)
InChIKey
DALUWOTVASMNBL-UHFFFAOYSA-N
Synonyms
895264-00-3
895264003
CC1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC
InChI=1SC21H20N2O5S2c11581016(11915)2219(24)1423(176435717)30(2627)1812132920(18)21(25)282h313H14H212H3(H2224)
methyl3((2((4methylphenyl)amino)2oxoethyl)(phenyl)sulfamoyl)thiophene2carboxylate
methyl3((2(4methylanilino)2oxoethyl)phenylsulfamoyl)thiophene2carboxylate
METHYL3(N(2OXO2(PTOLYLAMINO)ETHYL)NPHENYLSULFAMOYL)THIOPHENE2CARBOXYLATE
MFCD08140623
ZINC000008605066
ZINC08605066
ZINC8605066

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Available files

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