Vitas-M small molecule compound
(2Z)-7-{[bis(2-methoxyethyl)ammonio]methyl}-2-(4-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK582378
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)Br)/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 C22H24BrNO5 MW 462.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrNO5/c1-27-11-9-24(10-12-28-2)14-18-19(25)8-7-17-21(26)20(29-22(17)18)13-15-3-5-16(23)6-4-15/h3-8,13,25H,9-12,14H2,1-2H3/b20-13-InChIKey
GKZZPEURXKQOEZ-MOSHPQCFSA-NSynonyms
896858-34-7(2Z)7((bis(2methoxyethyl)ammonio)methyl)2(4bromobenzylidene)3oxo23dihydro1benzofuran6olate
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)Br)C2=O)CCOC
COCCN(CCOC)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)Br)C2=O)O
InChI=1SC22H24BrNO5c12711924(1012282)141819(25)871721(26)20(2922(17)18)13153516(23)6415h381325H91214H212H3b2013
MFCD06604068
ZINC000020519089
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