Vitas-M small molecule compound
ethyl 5-benzyl-2-({[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]carbamothioyl}amino)thiophene-3-carboxylate
Catalog ID
STK457512
SMILES CCOC(=O)c1cc(sc1NC(=S)NCc1nn(c(c1)C)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 C21H24N4O2S2 MW 428.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S2/c1-4-27-20(26)18-12-17(11-15-8-6-5-7-9-15)29-19(18)23-21(28)22-13-16-10-14(2)25(3)24-16/h5-10,12H,4,11,13H2,1-3H3,(H2,22,23,28)InChIKey
JKHHUKBRUMZETI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=NN(C(=C3)C)C
ETHYL2(((((15DIMETHYLPYRAZOL3YL)METHYL)AMINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2((((15dimethyl1Hpyrazol3yl)methyl)carbamothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((15DIMETHYLPYRAZOL3YL)METHYLCARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H24N4O2S2c142720(26)181217(11158657915)2919(18)2321(28)2213161014(2)25(3)2416h51012H41113H213H3(H2222328)
MFCD05067859
ZINC000002853440
ZINC02853440
ZINC2853440
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