Vitas-M small molecule compound
(2Z)-7-[(diethylammonio)methyl]-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856829
SMILES CC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)C)/C2=O)CC
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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 C21H23NO3 MW 337.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO3/c1-4-22(5-2)13-17-18(23)11-10-16-20(24)19(25-21(16)17)12-15-8-6-14(3)7-9-15/h6-12,23H,4-5,13H2,1-3H3/b19-12-InChIKey
AKRQFJOAPRSHKS-UNOMPAQXSA-NSynonyms
869077-14-5(2Z)7((diethylammonio)methyl)2(4methylbenzylidene)3oxo23dihydro1benzofuran6olate
869077145
CC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)C)C2=O)CC
CCN(CC)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C)C2=O)O
InChI=1SC21H23NO3c1422(52)131718(23)11101620(24)19(2521(16)17)12158614(3)7915h61223H4513H213H3b1912
MFCD06405724
ZINC000020624352
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