Vitas-M small molecule compound
ethyl 1-ethyl-4-({[5-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-1H-pyrazole-3-carboxylate
Catalog ID
STL403219
SMILES CCOC(=O)c1nn(cc1NC(=O)Cn1nc(c(c1C)[N+](=O)[O-])C(F)(F)F)CC
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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 C15H17F3N6O5 MW 418.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17F3N6O5/c1-4-22-6-9(11(20-22)14(26)29-5-2)19-10(25)7-23-8(3)12(24(27)28)13(21-23)15(16,17)18/h6H,4-5,7H2,1-3H3,(H,19,25)InChIKey
JSAIXJRHLVDKJK-UHFFFAOYSA-NSynonyms
1005572-57-51005572575
CCN1C=C(C(=N1)C(=O)OCC)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)(N+)(=O)(O))C
CCOC(=O)c1nn(cc1NC(=O)Cn1nc(c(c1C)(N+)(=O)(O))C(F)(F)F)CC
ethyl1ethyl4(((5methyl4nitro3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)1Hpyrazole3carboxylate
ethyl1ethyl4((2(5methyl4nitro3(trifluoromethyl)pyrazol1yl)acetyl)amino)pyrazole3carboxylate
InChI=1SC15H17F3N6O5c142269(11(2022)14(26)2952)1910(25)7238(3)12(24(27)28)13(2123)15(1617)18h6H457H213H3(H1925)
MFCD04139912
ZINC000002730677
ZINC02730677
ZINC2730677
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