Vitas-M small molecule compound
(4Z)-4-(2,5-dimethoxybenzylidene)-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL443448
SMILES COc1ccc(c(c1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C)C)C)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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-13-6-7-17(10-14(13)2)23-21(24)19(15(3)22-23)12-16-11-18(25-4)8-9-20(16)26-5/h6-12H,1-5H3/b19-12-InChIKey
PHAYCNHIPWEFOO-UNOMPAQXSA-NSynonyms
(4Z)4((25DIMETHOXYPHENYL)METHYLIDENE)2(34DIMETHYLPHENYL)5METHYLPYRAZOL3ONE
(4Z)4(25dimethoxybenzylidene)2(34dimethylphenyl)5methyl24dihydro3Hpyrazol3one
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)OC)OC)C(=N2)C)C
COc1ccc(c(c1)C=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C)OC
InChI=1SC21H22N2O3c1136717(1014(13)2)2321(24)19(15(3)2223)12161118(254)8920(16)265h612H15H3b1912
MFCD01157869
ZINC000004477151
ZINC04477151
ZINC4477151
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