Vitas-M small molecule compound
1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butan-1-one
Catalog ID
STL391797
SMILES CCC(n1nc(cc1C)[N+](=O)[O-])C(=O)N1N=CCC1(O)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 C12H14F3N5O4 MW 349.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14F3N5O4/c1-3-8(18-7(2)6-9(17-18)20(23)24)10(21)19-11(22,4-5-16-19)12(13,14)15/h5-6,8,22H,3-4H2,1-2H3InChIKey
HNUXMOLTPZRUFT-UHFFFAOYSA-NSynonyms
1005638-40-31(5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)2(5methyl3nitro1Hpyrazol1yl)butan1one
1(5hydroxy5(trifluoromethyl)4Hpyrazol1yl)2(5methyl3nitropyrazol1yl)butan1one
1005638403
CCC(C(=O)N1C(CC=N1)(C(F)(F)F)O)N2C(=CC(=N2)(N+)(=O)(O))C
CCC(n1nc(cc1C)(N+)(=O)(O))C(=O)N1N=CCC1(O)C(F)(F)F
InChI=1SC12H14F3N5O4c138(187(2)69(1718)20(23)24)10(21)1911(22451619)12(1314)15h56822H34H212H3
MFCD04140610
ZINC000006554836
ZINC000006555282
Check stock
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Check stock on Vitas-MAvailable files
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