Vitas-M small molecule compound
(4E)-4-{3-bromo-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK033037
SMILES CCOc1cc(cc(c1OCc1ccccc1F)Br)/C=C/1\C(=NN(C1=O)c1ccccc1)C
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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 C26H22BrFN2O3 MW 509.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrFN2O3/c1-3-32-24-15-18(14-22(27)25(24)33-16-19-9-7-8-12-23(19)28)13-21-17(2)29-30(26(21)31)20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3/b21-13+InChIKey
GPQREWASWQLSDH-FYJGNVAPSA-NSynonyms
(4E)4((3BROMO5ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3BROMO5ETHOXY4((2FLUOROBENZYL)OXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC4=CC=CC=C4F
CCOc1cc(cc(c1OCc1ccccc1F)Br)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC26H22BrFN2O3c1332241518(1422(27)25(24)3316199781223(19)28)132117(2)2930(26(21)31)20105461120h415H316H212H3b2113+
MFCD02121976
STK033037
ZINC000009144649
ZINC09144649
ZINC9144649
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