Vitas-M small molecule compound
(2Z)-7-[(diethylammonio)methyl]-2-(4-ethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK857087
SMILES CCOc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](CC)CC)[O-]
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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 C22H25NO4 MW 367.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO4/c1-4-23(5-2)14-18-19(24)12-11-17-21(25)20(27-22(17)18)13-15-7-9-16(10-8-15)26-6-3/h7-13,24H,4-6,14H2,1-3H3/b20-13-InChIKey
FNVWYYZXEGAYQK-MOSHPQCFSA-NSynonyms
869077-25-8(2Z)7((diethylammonio)methyl)2(4ethoxybenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((diethylazaniumyl)methyl)2((4ethoxyphenyl)methylidene)3oxo1benzofuran6olate
869077258
CC(NH+)(CC)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)OCC)C2=O)(O)
CCOc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)(CC)CC)(O)
InChI=1SC22H25NO4c1423(52)141819(24)12111721(25)20(2722(17)18)13157916(10815)2663h71324H4614H213H3b2013
MFCD06405735
ZINC000013653589
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