Vitas-M small molecule compound
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](2-methyl-3-nitrophenyl)methanone
Catalog ID
STK431997
SMILES O=C(c1cccc(c1C)[N+](=O)[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 C13H12F3N3O4 MW 331.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F3N3O4/c1-7-6-12(21,13(14,15)16)18(17-7)11(20)9-4-3-5-10(8(9)2)19(22)23/h3-5,21H,6H2,1-2H3InChIKey
VTQMLAYFVBKYFC-UHFFFAOYSA-NSynonyms
(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)(2methyl3nitrophenyl)methanone
(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)(2METHYL3NITROPHENYL)METHANONE
5HYDROXY3METHYL5(TRIFLUOROMETHYL)(2PYRAZOLINYL)2METHYL3NITROPHENYLKETONE
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=C(C(=CC=C2)(N+)(=O)(O))C
InChI=1SC13H12F3N3O4c17612(2113(1415)16)18(177)11(20)943510(8(9)2)19(22)23h3521H6H212H3
MFCD03466530
O=C(c1cccc(c1C)(N+)(=O)(O))N1N=C(CC1(O)C(F)(F)F)C
ZINC000000204565
ZINC000000204566
Check stock
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