Vitas-M small molecule compound

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

Catalog ID
STK852367
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1Cl)Cl)/C2=O)CCOC

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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 C22H23Cl2NO5 MW 452.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl2NO5/c1-28-9-7-25(8-10-29-2)13-17-19(26)6-5-16-21(27)20(30-22(16)17)11-14-3-4-15(23)12-18(14)24/h3-6,11-12,26H,7-10,13H2,1-2H3/b20-11-
InChIKey
LIOJZHFVSXMHFY-JAIQZWGSSA-N
Synonyms
896846-47-2
(2Z)7((BIS(2METHOXYETHYL)AMINO)METHYL)2((24DICHLOROPHENYL)METHYLIDENE)6HYDROXY1BENZOFURAN3ONE
(2Z)7((bis(2methoxyethyl)ammonio)methyl)2(24dichlorobenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((bis(2methoxyethyl)azaniumyl)methyl)2((24dichlorophenyl)methylidene)3oxo1benzofuran6olate
2((24DICHLOROPHENYL)METHYLENE)7((BIS(2METHOXYETHYL)AMINO)METHYL)6HYDROXYBENZO(B)FURAN3ONE
896846472
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1Cl)Cl)C2=O)CCOC
COCC(NH+)(CCOC)CC1=C(C=CC2=C1OC(=CC3=C(C=C(C=C3)Cl)Cl)C2=O)(O)
InChI=1SC22H23Cl2NO5c1289725(810292)131719(26)651621(27)20(3022(16)17)11143415(23)1218(14)24h36111226H71013H212H3b2011
MFCD06601994
ZINC000020518649
ZINC20518649

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Available files

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