Vitas-M small molecule compound
(2Z)-7-[(dimethylammonio)methyl]-2-(2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855977
SMILES COc1ccccc1/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)11-14-15(21)9-8-13-18(22)17(24-19(13)14)10-12-6-4-5-7-16(12)23-3/h4-10,21H,11H2,1-3H3/b17-10-InChIKey
GYLNOABESDDCBO-YVLHZVERSA-NSynonyms
869077-02-1(2Z)7((dimethylammonio)methyl)2(2methoxybenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((dimethylazaniumyl)methyl)2((2methoxyphenyl)methylidene)3oxo1benzofuran6olate
869077021
C(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3OC)C2=O)(O)
COc1ccccc1C=C1Oc2c(C1=O)ccc(c2C(NH+)(C)C)(O)
InChI=1SC19H19NO4c120(2)111415(21)981318(22)17(2419(13)14)1012645716(12)233h41021H11H213H3b1710
MFCD06405712
ZINC000013653597
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