Vitas-M small molecule compound
diethyl 5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK459538
SMILES CCOC(=O)c1c(NC(=S)Nc2c(=O)n(n(c2C)C)c2ccccc2)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 C23H26N4O5S2 MW 502.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O5S2/c1-6-31-21(29)16-13(3)18(22(30)32-7-2)34-19(16)25-23(33)24-17-14(4)26(5)27(20(17)28)15-11-9-8-10-12-15/h8-12H,6-7H2,1-5H3,(H2,24,25,33)InChIKey
JCCYWLJWVXTTIJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
diethyl5(((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)carbamothioyl)amino)3methylthiophene24dicarboxylate
DIETHYL5((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)CARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
ETHYL2((((23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))AMINO)THIOXOMETHYL)AMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H26N4O5S2c163121(29)1613(3)18(22(30)3272)3419(16)2523(33)241714(4)26(5)27(20(17)28)151198101215h812H67H215H3(H2242533)
MFCD05989851
ZINC000002853605
ZINC02853605
ZINC2853605
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