Vitas-M small molecule compound
(4E)-4-[(2E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-ylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL477723
SMILES Cc1ccc(cc1)/C(=C/1\C(=NN(C1=O)c1ccccc1)C)/C=C/c1ccc2c(c1)OCO2
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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 C27H22N2O3 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O3/c1-18-8-12-21(13-9-18)23(14-10-20-11-15-24-25(16-20)32-17-31-24)26-19(2)28-29(27(26)30)22-6-4-3-5-7-22/h3-16H,17H2,1-2H3/b14-10+,26-23+InChIKey
YRHOSSYRHUPJNW-QFBRGKPISA-NSynonyms
331862-07-8(4E)4((2E)3(13benzodioxol5yl)1(4methylphenyl)prop2en1ylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4E)4((E)3(13BENZODIOXOL5YL)1(4METHYLPHENYL)PROP2ENYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
331862078
CC1=CC=C(C=C1)C(=C2C(=NN(C2=O)C3=CC=CC=C3)C)C=CC4=CC5=C(C=C4)OCO5
Cc1ccc(cc1)C(=C1C(=NN(C1=O)c1ccccc1)C)C=Cc1ccc2c(c1)OCO2
InChI=1SC27H22N2O3c11881221(13918)23(14102011152425(1620)32173124)2619(2)2829(27(26)30)226435722h316H17H212H3b1410+2623+
MFCD03192673
ZINC000016948833
ZINC16948833
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