Vitas-M small molecule compound
diethyl {[5-amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl](phenyl)methyl}propanedioate
Catalog ID
STK687979
SMILES CCOC(=O)C(C(n1nc(nc1N)C(F)(F)F)c1ccccc1)C(=O)OCC
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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 C17H19F3N4O4 MW 400.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19F3N4O4/c1-3-27-13(25)11(14(26)28-4-2)12(10-8-6-5-7-9-10)24-16(21)22-15(23-24)17(18,19)20/h5-9,11-12H,3-4H2,1-2H3,(H2,21,22,23)InChIKey
LLUQRTIFPUAYDP-UHFFFAOYSA-NSynonyms
1H124TRIAZOLE1PROPANOICACID5AMINOALPHA(1)((ETHYLOXIDANYL)OXIDANYLIDENEMETHYL)BETA(1)PHENYL3(TRIFLUOROMETHYL)ETHYLESTER
CCOC(=O)C(C(C1=CC=CC=C1)N2C(=NC(=N2)C(F)(F)F)N)C(=O)OCC
diethyl((5amino3(trifluoromethyl)1H124triazol1yl)(phenyl)methyl)propanedioate
DIETHYL2((5AMINO3(TRIFLUOROMETHYL)(124TRIAZOLYL))PHENYLMETHYL)PROPANE13DIOATE
DIETHYL2((5AMINO3(TRIFLUOROMETHYL)124TRIAZOL1YL)PHENYLMETHYL)PROPANEDIOATE
InChI=1SC17H19F3N4O4c132713(25)11(14(26)2842)12(108657910)2416(21)2215(2324)17(1819)20h591112H34H212H3(H2212223)
MFCD07022538
ZINC000004770321
ZINC000004770323
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