Vitas-M small molecule compound
(2Z)-7-[(diethylammonio)methyl]-2-(3-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856691
SMILES COc1cccc(c1)/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 C21H23NO4 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4/c1-4-22(5-2)13-17-18(23)10-9-16-20(24)19(26-21(16)17)12-14-7-6-8-15(11-14)25-3/h6-12,23H,4-5,13H2,1-3H3/b19-12-InChIKey
LSZSRNOXQAFCOF-UNOMPAQXSA-NSynonyms
869077-28-1(2Z)7((diethylammonio)methyl)2(3methoxybenzylidene)3oxo23dihydro1benzofuran6olate
869077281
CCN(CC)CC1=C(C=CC2=C1OC(=CC3=CC(=CC=C3)OC)C2=O)O
COc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2C(NH+)(CC)CC)(O)
InChI=1SC21H23NO4c1422(52)131718(23)1091620(24)19(2621(16)17)121476815(1114)253h61223H4513H213H3b1912
MFCD06405738
ZINC000020624532
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