Vitas-M small molecule compound
(2Z)-2-benzylidene-7-{[bis(2-methoxyethyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851079
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccccc1)/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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-26-12-10-23(11-13-27-2)15-18-19(24)9-8-17-21(25)20(28-22(17)18)14-16-6-4-3-5-7-16/h3-9,14,24H,10-13,15H2,1-2H3/b20-14-InChIKey
SJDDMPMTZFPONB-ZHZULCJRSA-NSynonyms
896595-07-6(2Z)2benzylidene7((bis(2methoxyethyl)ammonio)methyl)3oxo23dihydro1benzofuran6olate
896595076
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccccc1)C2=O)CCOC
COCCN(CCOC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3)C2=O)O
InChI=1SC22H25NO5c126121023(1113272)151819(24)981721(25)20(2822(17)18)14166435716h391424H101315H212H3b2014
MFCD06593495
ZINC000020503748
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