Vitas-M small molecule compound
(4E)-4-{3-chloro-4-[(4-methylbenzyl)oxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL484692
SMILES Cc1ccc(cc1)COc1ccc(cc1Cl)/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 C25H21ClN2O2 MW 416.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O2/c1-17-8-10-19(11-9-17)16-30-24-13-12-20(15-23(24)26)14-22-18(2)27-28(25(22)29)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3/b22-14+InChIKey
ALGQCFUDXBNXQW-HYARGMPZSA-NSynonyms
(4E)4((3CHLORO4((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3chloro4((4methylbenzyl)oxy)benzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)Cl
Cc1ccc(cc1)COc1ccc(cc1Cl)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC25H21ClN2O2c11781019(11917)163024131220(1523(24)26)142218(2)2728(25(22)29)216435721h315H16H212H3b2214+
MFCD03705923
ZINC000004819240
ZINC04819240
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