Vitas-M small molecule compound
dimethyl 2-({[5-(4-chlorophenyl)-1H-pyrazol-3-yl]carbonyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STK879498
SMILES COC(=O)c1ccc(cc1NC(=O)c1n[nH]c(c1)c1ccc(cc1)Cl)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 C20H16ClN3O5 MW 413.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O5/c1-28-19(26)12-5-8-14(20(27)29-2)16(9-12)22-18(25)17-10-15(23-24-17)11-3-6-13(21)7-4-11/h3-10H,1-2H3,(H,22,25)(H,23,24)InChIKey
SJJFDQCRBKQQGE-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl
COC(=O)c1ccc(cc1NC(=O)c1n(nH)c(c1)c1ccc(cc1)Cl)C(=O)OC
dimethyl2(((5(4chlorophenyl)1Hpyrazol3yl)carbonyl)amino)benzene14dicarboxylate
dimethyl2((3(4chlorophenyl)1Hpyrazole5carbonyl)amino)benzene14dicarboxylate
InChI=1SC20H16ClN3O5c12819(26)125814(20(27)292)16(912)2218(25)171015(232417)113613(21)7411h310H12H3(H2225)(H2324)
MFCD18170828
ZINC000040478264
ZINC40478264
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