Vitas-M small molecule compound

propyl 4-[(4Z)-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate

Catalog ID
STL431814
SMILES CCCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/C1=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 C25H18F3N3O6 MW 513.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18F3N3O6/c1-2-13-36-24(33)16-5-7-17(8-6-16)30-23(32)20(22(29-30)25(26,27)28)14-19-11-12-21(37-19)15-3-9-18(10-4-15)31(34)35/h3-12,14H,2,13H2,1H3/b20-14-
InChIKey
IHIBYNXKPDUGPN-ZHZULCJRSA-N
Synonyms

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))C(=N2)C(F)(F)F
CCCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C1=O)C(F)(F)F
InChI=1SC25H18F3N3O6c12133624(33)165717(8616)3023(32)20(22(2930)25(2627)28)1419111221(3719)153918(10415)31(34)35h31214H213H21H3b2014
MFCD07435739
propyl4((4Z)4((5(4nitrophenyl)furan2yl)methylidene)5oxo3(trifluoromethyl)45dihydro1Hpyrazol1yl)benzoate
PROPYL4((4Z)4((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOATE
ZINC000032099406
ZINC32099406

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Available files

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