Vitas-M small molecule compound
dimethyl 1-{2-[(2,4-difluorophenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094451
SMILES COC(=O)c1n(nnc1C(=O)OC)CC(=O)Nc1ccc(cc1F)F
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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 C14H12F2N4O5 MW 354.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12F2N4O5/c1-24-13(22)11-12(14(23)25-2)20(19-18-11)6-10(21)17-9-4-3-7(15)5-8(9)16/h3-5H,6H2,1-2H3,(H,17,21)InChIKey
MWTCQYQBQCAMRK-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(N(N=N1)CC(=O)NC2=C(C=C(C=C2)F)F)C(=O)OC
dimethyl1(2((24difluorophenyl)amino)2oxoethyl)1H123triazole45dicarboxylate
dimethyl1(2(24difluoroanilino)2oxoethyl)triazole45dicarboxylate
InChI=1SC14H12F2N4O5c12413(22)1112(14(23)252)20(191811)610(21)179437(15)58(9)16h35H6H212H3(H1721)
MFCD14749641
ZINC000004969594
ZINC4969594
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