Vitas-M small molecule compound
methyl 2-({[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]carbamothioyl}amino)-5-phenylthiophene-3-carboxylate
Catalog ID
STK438852
SMILES COC(=O)c1cc(sc1NC(=S)Nc1cnn(c1)Cc1c(Cl)cccc1Cl)c1ccccc1
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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 C23H18Cl2N4O2S2 MW 517.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18Cl2N4O2S2/c1-31-22(30)16-10-20(14-6-3-2-4-7-14)33-21(16)28-23(32)27-15-11-26-29(12-15)13-17-18(24)8-5-9-19(17)25/h2-12H,13H2,1H3,(H2,27,28,32)InChIKey
QEEDVJQIFJZKMK-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CN(N=C3)CC4=C(C=CC=C4Cl)Cl
InChI=1SC23H18Cl2N4O2S2c13122(30)161020(146324714)3321(16)2823(32)2715112629(1215)131718(24)85919(17)25h212H13H21H3(H2272832)
METHYL2((((1((26DICHLOROPHENYL)METHYL)PYRAZOL4YL)AMINO)THIOXOMETHYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
methyl2(((1(26dichlorobenzyl)1Hpyrazol4yl)carbamothioyl)amino)5phenylthiophene3carboxylate
METHYL2((1((26DICHLOROPHENYL)METHYL)PYRAZOL4YL)CARBAMOTHIOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD03945722
ZINC000020220762
ZINC20220762
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