Vitas-M small molecule compound
(4E)-4-{5-bromo-2-[(2-fluorobenzyl)oxy]benzylidene}-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK112362
SMILES CCCC1=NN(C(=O)/C/1=C/c1cc(Br)ccc1OCc1ccccc1F)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 C26H22BrFN2O2 MW 493.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrFN2O2/c1-2-8-24-22(26(31)30(29-24)21-10-4-3-5-11-21)16-19-15-20(27)13-14-25(19)32-17-18-9-6-7-12-23(18)28/h3-7,9-16H,2,8,17H2,1H3/b22-16+InChIKey
RQDRMXIYSQZCGS-CJLVFECKSA-NSynonyms
(4E)4((5BROMO2((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)2PHENYL5PROPYLPYRAZOL3ONE
(4E)4(5BROMO2((2FLUOROBENZYL)OXY)BENZYLIDENE)2PHENYL5PROPYL24DIHYDRO3HPYRAZOL3ONE
CCCC1=NN(C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1F)c1ccccc1
CCCC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3F)C4=CC=CC=C4
InChI=1SC26H22BrFN2O2c1282422(26(31)30(2924)21104351121)16191520(27)131425(19)3217189671223(18)28h37916H2817H21H3b2216+
MFCD04127737
ZINC000100318316
ZINC100318316
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