Vitas-M small molecule compound
(2Z)-2-benzylidene-7-{[butyl(methyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850405
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccccc1)/C2=O)C
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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/c1-3-4-12-22(2)14-17-18(23)11-10-16-20(24)19(25-21(16)17)13-15-8-6-5-7-9-15/h5-11,13,23H,3-4,12,14H2,1-2H3/b19-13-InChIKey
OFCUJQYSGAHXMF-UYRXBGFRSA-NSynonyms
1178092-20-0(2Z)2benzylidene7((butyl(methyl)ammonio)methyl)3oxo23dihydro1benzofuran6olate
1178092200
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccccc1)C2=O)C
CCCCN(C)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3)C2=O)O
InChI=1SC21H23NO3c1341222(2)141718(23)11101620(24)19(2521(16)17)13158657915h5111323H341214H212H3b1913
MFCD06604331
ZINC000020519156
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