Vitas-M small molecule compound
(4Z)-4-(5-bromo-2-methoxybenzylidene)-2-(3,4-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL443447
SMILES COc1ccc(cc1/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C)C)C)Br
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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 C20H19BrN2O2 MW 399.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O2/c1-12-5-7-17(9-13(12)2)23-20(24)18(14(3)22-23)11-15-10-16(21)6-8-19(15)25-4/h5-11H,1-4H3/b18-11-InChIKey
WPTJGNQPAZJAAC-WQRHYEAKSA-NSynonyms
(4Z)4((5BROMO2METHOXYPHENYL)METHYLIDENE)2(34DIMETHYLPHENYL)5METHYLPYRAZOL3ONE
(4Z)4(5bromo2methoxybenzylidene)2(34dimethylphenyl)5methyl24dihydro3Hpyrazol3one
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OC)C(=N2)C)C
COc1ccc(cc1C=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C)Br
InChI=1SC20H19BrN2O2c1125717(913(12)2)2320(24)18(14(3)2223)11151016(21)6819(15)254h511H14H3b1811
MFCD01157844
ZINC000016948906
ZINC16948906
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