Vitas-M small molecule compound

[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](4-nitrophenyl)methanone

Catalog ID
STK396758
SMILES CCC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccc(cc1)[N+](=O)[O-]

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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/c1-2-9-7-12(21,13(14,15)16)18(17-9)11(20)8-3-5-10(6-4-8)19(22)23/h3-6,21H,2,7H2,1H3
InChIKey
DKOYBTLSOUSVMT-UHFFFAOYSA-N
Synonyms

(3ethyl5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)(4nitrophenyl)methanone
(3ETHYL5HYDROXY5(TRIFLUOROMETHYL)4HPYRAZOL1YL)(4NITROPHENYL)METHANONE
3ETHYL5HYDROXY5(TRIFLUOROMETHYL)(2PYRAZOLINYL)4NITROPHENYLKETONE
CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)(N+)(=O)(O)
CCC1=NN(C(C1)(O)C(F)(F)F)C(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H12F3N3O4c129712(2113(1415)16)18(179)11(20)83510(648)19(22)23h3621H27H21H3
MFCD00714648
ZINC000000504118
ZINC000000504119

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Available files

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