Vitas-M small molecule compound

(4E)-4-(2-bromo-4-hydroxy-5-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK092739
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)c(cc1O)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 C18H15BrN2O3 MW 387.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN2O3/c1-11-14(8-12-9-17(24-2)16(22)10-15(12)19)18(23)21(20-11)13-6-4-3-5-7-13/h3-10,22H,1-2H3/b14-8+
InChIKey
AWPAEDONTXBWED-RIYZIHGNSA-N
Synonyms
353765-60-3
(4E)4(2bromo4hydroxy5methoxybenzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
353765603
COc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)c(cc1O)Br
MFCD01648140
STK092739
ZINC000003864236

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.