Vitas-M small molecule compound

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

Catalog ID
STL071363
SMILES O=C(N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)[N+](=O)[O-])c1ccccc1

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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 C17H12F3N3O4 MW 379.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F3N3O4/c18-17(19,20)16(25)10-14(11-6-8-13(9-7-11)23(26)27)21-22(16)15(24)12-4-2-1-3-5-12/h1-9,25H,10H2
InChIKey
AZRNCVGIYLPKIS-UHFFFAOYSA-N
Synonyms
352349-93-0
((5R)5HYDROXY3(4NITROPHENYL)5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)(PHENYL)METHANONE
((5S)5HYDROXY3(4NITROPHENYL)5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)(PHENYL)METHANONE
(5hydroxy3(4nitrophenyl)5(trifluoromethyl)45dihydro1Hpyrazol1yl)(phenyl)methanone
(5HYDROXY3(4NITROPHENYL)5(TRIFLUOROMETHYL)4HPYRAZOL1YL)PHENYLMETHANONE
352349930
C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H12F3N3O4c1817(1920)16(25)1014(116813(9711)23(26)27)2122(16)15(24)124213512h1925H10H2
MFCD01241422
O=C(N1N=C(CC1(O)C(F)(F)F)c1ccc(cc1)(N+)(=O)(O))c1ccccc1
ZINC000001194954
ZINC000001194956

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Available files

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