Vitas-M small molecule compound
(4E)-4-{3-bromo-4-[(2-fluorobenzyl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK160400
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(c(c1)Br)OCc1ccccc1F)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 C24H18BrFN2O2 MW 465.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18BrFN2O2/c1-16-20(24(29)28(27-16)19-8-3-2-4-9-19)13-17-11-12-23(21(25)14-17)30-15-18-7-5-6-10-22(18)26/h2-14H,15H2,1H3/b20-13+InChIKey
ARUDXIAGQHVVRI-DEDYPNTBSA-NSynonyms
(4E)4((3BROMO4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3BROMO4((2FLUOROBENZYL)OXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=Cc1ccc(c(c1)Br)OCc1ccccc1F)c1ccccc1
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC3=CC=CC=C3F)Br)C4=CC=CC=C4
InChI=1SC24H18BrFN2O2c11620(24(29)28(2716)198324919)1317111223(21(25)1417)3015187561022(18)26h214H15H21H3b2013+
MFCD04560485
ZINC000100233049
ZINC100233049
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