Vitas-M small molecule compound

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

Catalog ID
STK630059
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1Cl)Cl)/C2=O)C

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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 C21H21Cl2NO3 MW 406.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2NO3/c1-3-4-9-24(2)12-16-18(25)8-7-15-20(26)19(27-21(15)16)10-13-5-6-14(22)11-17(13)23/h5-8,10-11,25H,3-4,9,12H2,1-2H3/b19-10-
InChIKey
DXPPAEMYKRCBQW-GRSHGNNSSA-N
Synonyms
929456-63-3
(2Z)7((butyl(methyl)ammonio)methyl)2(24dichlorobenzylidene)3oxo23dihydro1benzofuran6olate
2((24DICHLOROPHENYL)METHYLENE)7((BUTYLMETHYLAMINO)METHYL)6HYDROXYBENZO(B)FURAN3ONE
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1Cl)Cl)C2=O)C
MFCD09793792
ZINC000013682070
ZINC13682070

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Available files

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