Vitas-M small molecule compound
ethyl {5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}acetate
Catalog ID
STK785027
SMILES CCOC(=O)Cc1nnc([nH]1)c1ccc(cc1)C(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 C13H12F3N3O2 MW 299.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F3N3O2/c1-2-21-11(20)7-10-17-12(19-18-10)8-3-5-9(6-4-8)13(14,15)16/h3-6H,2,7H2,1H3,(H,17,18,19)InChIKey
MWTOKWFXAHVLMA-UHFFFAOYSA-NSynonyms
CCOC(=O)CC1=NC(=NN1)C2=CC=C(C=C2)C(F)(F)F
CCOC(=O)Cc1nnc((nH)1)c1ccc(cc1)C(F)(F)F
ethyl(5(4(trifluoromethyl)phenyl)4H124triazol3yl)acetate
ETHYL2(3(4(TRIFLUOROMETHYL)PHENYL)1H124TRIAZOL5YL)ACETATE
ETHYL2(5(4(TRIFLUOROMETHYL)PHENYL)4H124TRIAZOL3YL)ACETATE
InChI=1SC13H12F3N3O2c122111(20)7101712(191810)8359(648)13(1415)16h36H27H21H3(H171819)
MFCD07657610
ZINC000004776076
ZINC04776076
ZINC4776076
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