Vitas-M small molecule compound
dimethyl 1-{2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094524
SMILES COC(=O)c1n(nnc1C(=O)OC)CC(=O)Nc1c(Cl)cccc1Cl
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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 C14H12Cl2N4O5 MW 387.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12Cl2N4O5/c1-24-13(22)11-12(14(23)25-2)20(19-18-11)6-9(21)17-10-7(15)4-3-5-8(10)16/h3-5H,6H2,1-2H3,(H,17,21)InChIKey
CVMGLGIFTAGFNA-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(N(N=N1)CC(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)OC
dimethyl1(2((26dichlorophenyl)amino)2oxoethyl)1H123triazole45dicarboxylate
dimethyl1(2(26dichloroanilino)2oxoethyl)triazole45dicarboxylate
InChI=1SC14H12Cl2N4O5c12413(22)1112(14(23)252)20(191811)69(21)17107(15)4358(10)16h35H6H212H3(H1721)
MFCD18788148
ZINC000004969589
ZINC4969589
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