Vitas-M small molecule compound
(4E)-4-{2-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK080427
SMILES COc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCc1ccc(cc1)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 C25H21FN2O3 MW 416.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O3/c1-17-23(25(29)28(27-17)21-6-4-3-5-7-21)15-19-14-22(30-2)12-13-24(19)31-16-18-8-10-20(26)11-9-18/h3-15H,16H2,1-2H3/b23-15+InChIKey
DZSLACMMGLPKJZ-HZHRSRAPSA-NSynonyms
(4E)4((2((4FLUOROPHENYL)METHOXY)5METHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(2((4FLUOROBENZYL)OXY)5METHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)OC)OCC3=CC=C(C=C3)F)C4=CC=CC=C4
COc1ccc(c(c1)C=C1C(=NN(C1=O)c1ccccc1)C)OCc1ccc(cc1)F
InChI=1SC25H21FN2O3c11723(25(29)28(2717)216435721)15191422(302)121324(19)31161881020(26)11918h315H16H212H3b2315+
MFCD03715064
STK080427
ZINC000101355342
ZINC101355342
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