Vitas-M small molecule compound
ethyl 5-benzyl-2-{[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK457522
SMILES CCOC(=O)c1cc(sc1NC(=S)Nc1nc(C)cc(n1)C)Cc1ccccc1
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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 C21H22N4O2S2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S2/c1-4-27-19(26)17-12-16(11-15-8-6-5-7-9-15)29-18(17)24-21(28)25-20-22-13(2)10-14(3)23-20/h5-10,12H,4,11H2,1-3H3,(H2,22,23,24,25,28)InChIKey
PSWLDVXZINMYPH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC(=CC(=N3)C)C
ETHYL2((((46DIMETHYLPYRIMIDIN2YL)AMINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((46dimethylpyrimidin2yl)carbamothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((46DIMETHYLPYRIMIDIN2YL)CARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H22N4O2S2c142719(26)171216(11158657915)2918(17)2421(28)25202213(2)1014(3)2320h51012H411H213H3(H22223242528)
MFCD05067342
ZINC000001117377
ZINC01117377
ZINC1117377
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