Vitas-M small molecule compound
methyl 2-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK437069
SMILES COC(=O)c1c(NC(=S)Nc2c(C)nn(c2C)Cc2ccccc2Cl)sc(c1CC)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 C22H25ClN4O2S2 MW 477.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN4O2S2/c1-6-16-14(4)31-20(18(16)21(28)29-5)25-22(30)24-19-12(2)26-27(13(19)3)11-15-9-7-8-10-17(15)23/h7-10H,6,11H2,1-5H3,(H2,24,25,30)InChIKey
SKKCPDBJYQWIBG-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)C
InChI=1SC22H25ClN4O2S2c161614(4)3120(18(16)21(28)295)2522(30)241912(2)2627(13(19)3)11159781017(15)23h710H611H215H3(H2242530)
METHYL2((((1((2CHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)AMINO)THIOXOMETHYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((1(2chlorobenzyl)35dimethyl1Hpyrazol4yl)carbamothioyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2((1((2CHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)CARBAMOTHIOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD03945062
ZINC000020191521
ZINC20191521
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