Vitas-M small molecule compound
diethyl 3-methyl-5-[({4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl}carbamothioyl)amino]thiophene-2,4-dicarboxylate
Catalog ID
STK457415
SMILES CCOC(=O)c1c(NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc2c(C)cc(cc2C)C)sc(c1C)C(=O)OCC
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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 C27H31N3O6S3 MW 589.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O6S3/c1-7-35-25(31)21-18(6)23(26(32)36-8-2)38-24(21)29-27(37)28-19-9-11-20(12-10-19)39(33,34)30-22-16(4)13-15(3)14-17(22)5/h9-14,30H,7-8H2,1-6H3,(H2,28,29,37)InChIKey
BQSCYUCNGGFJOK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3C)C)C
diethyl3methyl5(((4((246trimethylphenyl)sulfamoyl)phenyl)carbamothioyl)amino)thiophene24dicarboxylate
DIETHYL3METHYL5((4((246TRIMETHYLPHENYL)SULFAMOYL)PHENYL)CARBAMOTHIOYLAMINO)THIOPHENE24DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)4METHYL2((THIOXO((4(((246TRIMETHYLPHENYL)AMINO)SULFONYL)PHENYL)AMINO)METHYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC27H31N3O6S3c173525(31)2118(6)23(26(32)3682)3824(21)2927(37)281991120(121019)39(3334)302216(4)1315(3)1417(22)5h91430H78H216H3(H2282937)
MFCD05989290
ZINC000059603093
ZINC59603093
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