Vitas-M small molecule compound

[5-hydroxy-5-(4-pentylphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](2-nitrophenyl)methanone

Catalog ID
STK762125
SMILES CCCCCc1ccc(cc1)C1(O)CC(=NN1C(=O)c1ccccc1[N+](=O)[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 C22H22F3N3O4 MW 449.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N3O4/c1-2-3-4-7-15-10-12-16(13-11-15)21(30)14-19(22(23,24)25)26-27(21)20(29)17-8-5-6-9-18(17)28(31)32/h5-6,8-13,30H,2-4,7,14H2,1H3
InChIKey
VPLZIRUIGAAFLL-UHFFFAOYSA-N
Synonyms

(5hydroxy5(4pentylphenyl)3(trifluoromethyl)45dihydro1Hpyrazol1yl)(2nitrophenyl)methanone
(5HYDROXY5(4PENTYLPHENYL)3(TRIFLUOROMETHYL)4HPYRAZOL1YL)(2NITROPHENYL)METHANONE
CCCCCC1=CC=C(C=C1)C2(CC(=NN2C(=O)C3=CC=CC=C3(N+)(=O)(O))C(F)(F)F)O
CCCCCc1ccc(cc1)C1(O)CC(=NN1C(=O)c1ccccc1(N+)(=O)(O))C(F)(F)F
InChI=1SC22H22F3N3O4c1234715101216(131115)21(30)1419(22(2324)25)2627(21)20(29)17856918(17)28(31)32h5681330H24714H21H3
MFCD01872667
ZINC000006472298
ZINC000006472304

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Available files

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