Vitas-M small molecule compound

(4Z)-4-(3-bromo-5-chloro-4-hydroxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK177841
SMILES CC1=NN(C(=O)/C/1=C\c1cc(Cl)c(c(c1)Br)O)c1ccccc1

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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 C17H12BrClN2O2 MW 391.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrClN2O2/c1-10-13(7-11-8-14(18)16(22)15(19)9-11)17(23)21(20-10)12-5-3-2-4-6-12/h2-9,22H,1H3/b13-7-
InChIKey
MZZVGQHMAZNGIR-QPEQYQDCSA-N
Synonyms

(4Z)4(3bromo5chloro4hydroxybenzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=Cc1cc(Cl)c(c(c1)Br)O)c1ccccc1
MFCD03141566
ZINC000014011382

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Available files

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