Vitas-M small molecule compound
(2Z)-2-(2,3-dimethoxybenzylidene)-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855136
SMILES COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+](C)C)[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 C21H23NO5 MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5/c1-12-9-15(23)14(11-22(2)3)21-18(12)19(24)17(27-21)10-13-7-6-8-16(25-4)20(13)26-5/h6-10,23H,11H2,1-5H3/b17-10-InChIKey
QQWRJGCMZTYISH-YVLHZVERSA-NSynonyms
903849-72-9(2Z)2((23dimethoxyphenyl)methylidene)7((dimethylazaniumyl)methyl)4methyl3oxo1benzofuran6olate
(2Z)2(23dimethoxybenzylidene)7((dimethylammonio)methyl)4methyl3oxo23dihydro1benzofuran6olate
903849729
CC1=CC(=C(C2=C1C(=O)C(=CC3=C(C(=CC=C3)OC)OC)O2)C(NH+)(C)C)(O)
COc1c(cccc1OC)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)(C)C)(O)
InChI=1SC21H23NO5c112915(23)14(1122(2)3)2118(12)19(24)17(2721)101376816(254)20(13)265h61023H11H215H3b1710
MFCD08293050
ZINC000020591549
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