Vitas-M small molecule compound
ethyl 4-[(4Z)-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STK089859
SMILES CCOC(=O)c1ccc(cc1)N1N=C(/C(=C/c2ccc(o2)c2cccc(c2)[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 C24H16F3N3O6 MW 499.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16F3N3O6/c1-2-35-23(32)14-6-8-16(9-7-14)29-22(31)19(21(28-29)24(25,26)27)13-18-10-11-20(36-18)15-4-3-5-17(12-15)30(33)34/h3-13H,2H2,1H3/b19-13-InChIKey
XQDPRNRUPGCMDO-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))C(=N2)C(F)(F)F
CCOC(=O)c1ccc(cc1)N1N=C(C(=Cc2ccc(o2)c2cccc(c2)(N+)(=O)(O))C1=O)C(F)(F)F
ETHYL4((4Z)4((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL1YL)BENZOATE
ETHYL4((4Z)4((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)5OXO3(TRIFLUOROMETHYL)PYRAZOL1YL)BENZOATE
InChI=1SC24H16F3N3O6c123523(32)146816(9714)2922(31)19(21(2829)24(2526)27)1318101120(3618)1543517(1215)30(33)34h313H2H21H3b1913
MFCD02908070
STK089859
ZINC000006492067
ZINC06492067
ZINC6492067
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