Vitas-M small molecule compound
(4E)-2-(4-acetylphenyl)-5-methyl-4-(3,4,5-trimethoxybenzylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL446157
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2ccc(cc2)C(=O)C)C)cc(c1OC)OC
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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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-13-18(10-15-11-19(27-3)21(29-5)20(12-15)28-4)22(26)24(23-13)17-8-6-16(7-9-17)14(2)25/h6-12H,1-5H3/b18-10+InChIKey
AGOVIKYMDUCUNB-VCHYOVAHSA-NSynonyms
(4E)2(4ACETYLPHENYL)5METHYL4((345TRIMETHOXYPHENYL)METHYLIDENE)PYRAZOL3ONE
(4E)2(4acetylphenyl)5methyl4(345trimethoxybenzylidene)24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)C(=O)C
COc1cc(C=C2C(=NN(C2=O)c2ccc(cc2)C(=O)C)C)cc(c1OC)OC
InChI=1SC22H22N2O5c11318(10151119(273)21(295)20(1215)284)22(26)24(2313)178616(7917)14(2)25h612H15H3b1810+
MFCD01157139
ZINC000004477121
ZINC4477121
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