Vitas-M small molecule compound
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitro-1H-pyrazol-1-yl)butan-1-one
Catalog ID
STK309154
SMILES CCC(n1ncc(c1)[N+](=O)[O-])C(=O)N1N=C(CC1(O)C(F)(F)F)C
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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 C12H14F3N5O4 MW 349.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14F3N5O4/c1-3-9(18-6-8(5-16-18)20(23)24)10(21)19-11(22,12(13,14)15)4-7(2)17-19/h5-6,9,22H,3-4H2,1-2H3InChIKey
JTQAQIJHXMAAMT-UHFFFAOYSA-NSynonyms
1005589-08-11(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)2(4nitro1Hpyrazol1yl)butan1one
1(5hydroxy3methyl5(trifluoromethyl)4Hpyrazol1yl)2(4nitropyrazol1yl)butan1one
1005589081
CCC(C(=O)N1C(CC(=N1)C)(C(F)(F)F)O)N2C=C(C=N2)(N+)(=O)(O)
CCC(n1ncc(c1)(N+)(=O)(O))C(=O)N1N=C(CC1(O)C(F)(F)F)C
InChI=1SC12H14F3N5O4c139(1868(51618)20(23)24)10(21)1911(2212(1314)15)47(2)1719h56922H34H212H3
MFCD04133667
ZINC000006554832
ZINC000006555278
Check stock
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Check stock on Vitas-MAvailable files
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