Vitas-M small molecule compound
dimethyl 1-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094459
SMILES COC(=O)c1n(nnc1C(=O)OC)CC(=O)Nc1ccccc1C(F)(F)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 C15H13F3N4O5 MW 386.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13F3N4O5/c1-26-13(24)11-12(14(25)27-2)22(21-20-11)7-10(23)19-9-6-4-3-5-8(9)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,23)InChIKey
ZHQPKFWWPRLCGF-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=CC=C2C(F)(F)F)C(=O)OC
dimethyl1(2oxo2((2(trifluoromethyl)phenyl)amino)ethyl)1H123triazole45dicarboxylate
dimethyl1(2oxo2(2(trifluoromethyl)anilino)ethyl)triazole45dicarboxylate
InChI=1SC15H13F3N4O5c12613(24)1112(14(25)272)22(212011)710(23)19964358(9)15(1617)18h36H7H212H3(H1923)
MFCD14749629
ZINC000004969590
ZINC4969590
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