Vitas-M small molecule compound
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-methyl-3-nitrophenyl)methanone
Catalog ID
STK431996
SMILES CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccc(c(c1)[N+](=O)[O-])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 C13H12F3N3O4 MW 331.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F3N3O4/c1-7-3-4-9(5-10(7)19(22)23)11(20)18-12(21,13(14,15)16)6-8(2)17-18/h3-5,21H,6H2,1-2H3InChIKey
SYYKKCCMUDZCEK-UHFFFAOYSA-NSynonyms
(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)(4methyl3nitrophenyl)methanone
(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)(4METHYL3NITROPHENYL)METHANONE
5HYDROXY3METHYL5(TRIFLUOROMETHYL)(2PYRAZOLINYL)4METHYL3NITROPHENYLKETONE
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=C(C=C2)C)(N+)(=O)(O)
CC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC13H12F3N3O4c17349(510(7)19(22)23)11(20)1812(2113(1415)16)68(2)1718h3521H6H212H3
MFCD03466426
ZINC000000204528
ZINC000000204530
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