Vitas-M small molecule compound
4-{[4-(methylammonio)phenyl](3,4,5-trimethoxyphenyl)methyl}-5-oxo-2,5-dihydrofuran-3-olate
Catalog ID
STL433751
SMILES COc1c(OC)cc(cc1OC)C(C1=C([O-])COC1=O)c1ccc(cc1)[NH2+]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 C21H23NO6 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO6/c1-22-14-7-5-12(6-8-14)18(19-15(23)11-28-21(19)24)13-9-16(25-2)20(27-4)17(10-13)26-3/h5-10,18,22-23H,11H2,1-4H3InChIKey
JZHJLZSLPYLQDG-UHFFFAOYSA-NSynonyms
3hydroxy4((4(methylamino)phenyl)(345trimethoxyphenyl)methyl)2Hfuran5one
4((4(methylammonio)phenyl)(345trimethoxyphenyl)methyl)5oxo25dihydrofuran3olate
CNC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=C(COC3=O)O
COc1c(OC)cc(cc1OC)C(C1=C((O))COC1=O)c1ccc(cc1)(NH2+)C
InChI=1SC21H23NO6c122147512(6814)18(1915(23)112821(19)24)13916(252)20(274)17(1013)263h510182223H11H214H3
MFCD25976105
ZINC000100251673
ZINC000100251674
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