Vitas-M small molecule compound
(4E)-4-{3-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK081032
SMILES CCOc1cc(ccc1OCc1ccccc1F)/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 C26H23FN2O3 MW 430.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN2O3/c1-3-31-25-16-19(13-14-24(25)32-17-20-9-7-8-12-23(20)27)15-22-18(2)28-29(26(22)30)21-10-5-4-6-11-21/h4-16H,3,17H2,1-2H3/b22-15+InChIKey
NEDXKKPYUZQRAT-PXLXIMEGSA-NSynonyms
(4E)4((3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3ETHOXY4((2FLUOROBENZYL)OXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC4=CC=CC=C4F
CCOc1cc(ccc1OCc1ccccc1F)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC26H23FN2O3c1331251619(131424(25)3217209781223(20)27)152218(2)2829(26(22)30)21105461121h416H317H212H3b2215+
MFCD02120810
STK081032
ZINC000013893100
ZINC13893100
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