Vitas-M small molecule compound
methyl 2-({[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]carbamothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK437085
SMILES COC(=O)c1c(NC(=S)Nc2nn(cc2Br)Cc2ccc(cc2)Cl)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 C20H20BrClN4O2S2 MW 527.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrClN4O2S2/c1-4-14-11(2)30-18(16(14)19(27)28-3)24-20(29)23-17-15(21)10-26(25-17)9-12-5-7-13(22)8-6-12/h5-8,10H,4,9H2,1-3H3,(H2,23,24,25,29)InChIKey
GSTHBXCFOKPIPN-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)C
InChI=1SC20H20BrClN4O2S2c141411(2)3018(16(14)19(27)283)2420(29)231715(21)1026(2517)9125713(22)8612h5810H49H213H3(H223242529)
METHYL2((((4BROMO1((4CHLOROPHENYL)METHYL)PYRAZOL3YL)AMINO)THIOXOMETHYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((4bromo1(4chlorobenzyl)1Hpyrazol3yl)carbamothioyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2((4BROMO1((4CHLOROPHENYL)METHYL)PYRAZOL3YL)CARBAMOTHIOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD03945083
ZINC000097945459
ZINC97945459
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