Vitas-M small molecule compound
(2Z)-7-[(dimethylammonio)methyl]-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856462
SMILES COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(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 C19H19NO4 MW 325.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO4/c1-20(2)11-15-16(21)9-8-14-18(22)17(24-19(14)15)10-12-4-6-13(23-3)7-5-12/h4-10,21H,11H2,1-3H3/b17-10-InChIKey
DSXPXGQWHHKIMD-YVLHZVERSA-NSynonyms
869077-11-2(2Z)7((dimethylammonio)methyl)2(4methoxybenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((dimethylazaniumyl)methyl)2((4methoxyphenyl)methylidene)3oxo1benzofuran6olate
869077112
C(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)OC)C2=O)(O)
COc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)(C)C)(O)
InChI=1SC19H19NO4c120(2)111516(21)981418(22)17(2419(14)15)10124613(233)7512h41021H11H213H3b1710
MFCD06405721
ZINC000013653761
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