Vitas-M small molecule compound
5-[(4Z)-4-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid
Catalog ID
STK675167
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc(c1O)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 C19H14BrClN2O5 MW 465.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrClN2O5/c1-9-12(5-10-6-14(20)17(24)16(7-10)28-2)18(25)23(22-9)11-3-4-15(21)13(8-11)19(26)27/h3-8,24H,1-2H3,(H,26,27)/b12-5-InChIKey
NDJFAUDLBXZCCK-XGICHPGQSA-NSynonyms
5((4Z)4(3bromo4hydroxy5methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)2chlorobenzoicacid
COc1cc(C=C2C(=NN(C2=O)c2ccc(c(c2)C(=O)O)Cl)C)cc(c1O)Br
MFCD01158564
ZINC000008443512
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