Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-(3,4-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK847878
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1)Cl)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)13-16-19(26)6-4-15-21(27)20(30-22(15)16)12-14-3-5-17(23)18(24)11-14/h3-6,11-12,26H,7-10,13H2,1-2H3/b20-12-InChIKey
ZRFQFQYCYTXXOD-NDENLUEZSA-NSynonyms
900259-78-1(2Z)7((bis(2methoxyethyl)ammonio)methyl)2(34dichlorobenzylidene)3oxo23dihydro1benzofuran6olate
900259781
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(c(c1)Cl)Cl)C2=O)CCOC
COCCN(CCOC)CC1=C(C=CC2=C1OC(=CC3=CC(=C(C=C3)Cl)Cl)C2=O)O
InChI=1SC22H23Cl2NO5c1289725(810292)131619(26)641521(27)20(3022(15)16)12143517(23)18(24)1114h36111226H71013H212H3b2012
MFCD06610417
ZINC000020533383
Check stock
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Check stock on Vitas-MAvailable files
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