Vitas-M small molecule compound
dimethyl 5-({[4-bromo-1-(3,4-dichlorobenzyl)-1H-pyrazol-3-yl]carbamothioyl}amino)-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK458393
SMILES COC(=O)c1c(NC(=S)Nc2nn(cc2Br)Cc2ccc(c(c2)Cl)Cl)sc(c1C)C(=O)OC
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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 C20H17BrCl2N4O4S2 MW 592.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrCl2N4O4S2/c1-9-14(18(28)30-2)17(33-15(9)19(29)31-3)25-20(32)24-16-11(21)8-27(26-16)7-10-4-5-12(22)13(23)6-10/h4-6,8H,7H2,1-3H3,(H2,24,25,26,32)InChIKey
PSZHKTUQQXNKCC-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2Br)CC3=CC(=C(C=C3)Cl)Cl)C(=O)OC
dimethyl5(((4bromo1(34dichlorobenzyl)1Hpyrazol3yl)carbamothioyl)amino)3methylthiophene24dicarboxylate
DIMETHYL5((4BROMO1((34DICHLOROPHENYL)METHYL)PYRAZOL3YL)CARBAMOTHIOYLAMINO)3METHYLTHIOPHENE24DICARBOXYLATE
InChI=1SC20H17BrCl2N4O4S2c1914(18(28)302)17(3315(9)19(29)313)2520(32)241611(21)827(2616)7104512(22)13(23)610h468H7H213H3(H224252632)
METHYL2((((1((34DICHLOROPHENYL)METHYL)4BROMOPYRAZOL3YL)AMINO)THIOXOMETHYL)AMINO)5(METHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD05991243
ZINC000002857534
ZINC2857534
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