Vitas-M small molecule compound
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butan-1-one
Catalog ID
STK309035
SMILES CCC(n1nc(cc1C)[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 C13H16F3N5O4 MW 363.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16F3N5O4/c1-4-9(19-8(3)5-10(18-19)21(24)25)11(22)20-12(23,13(14,15)16)6-7(2)17-20/h5,9,23H,4,6H2,1-3H3InChIKey
XIOSSPNALAOHAC-UHFFFAOYSA-NSynonyms
1005633-88-41(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)2(5methyl3nitro1Hpyrazol1yl)butan1one
1(5hydroxy3methyl5(trifluoromethyl)4Hpyrazol1yl)2(5methyl3nitropyrazol1yl)butan1one
1005633884
CCC(C(=O)N1C(CC(=N1)C)(C(F)(F)F)O)N2C(=CC(=N2)(N+)(=O)(O))C
CCC(n1nc(cc1C)(N+)(=O)(O))C(=O)N1N=C(CC1(O)C(F)(F)F)C
InChI=1SC13H16F3N5O4c149(198(3)510(1819)21(24)25)11(22)2012(2313(1415)16)67(2)1720h5923H46H213H3
MFCD04133308
ZINC000006554830
ZINC000006555276
Check stock
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Check stock on Vitas-MAvailable files
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