Vitas-M small molecule compound

(2Z)-7-{[benzyl(methyl)ammonio]methyl}-2-(2,4-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK618532
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1Cl)Cl)/C2=O)Cc1ccccc1

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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 C24H19Cl2NO3 MW 440.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19Cl2NO3/c1-27(13-15-5-3-2-4-6-15)14-19-21(28)10-9-18-23(29)22(30-24(18)19)11-16-7-8-17(25)12-20(16)26/h2-12,28H,13-14H2,1H3/b22-11-
InChIKey
KLJAKCYBBICKAM-JJFYIABZSA-N
Synonyms
929398-13-0
(2Z)7((benzyl(methyl)ammonio)methyl)2(24dichlorobenzylidene)3oxo23dihydro1benzofuran6olate
2((24DICHLOROPHENYL)METHYLENE)6HYDROXY7((METHYLBENZYLAMINO)METHYL)BENZO(B)FURAN3ONE
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1Cl)Cl)C2=O)Cc1ccccc1
MFCD09797089
ZINC000020625310
ZINC20625310

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Available files

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