Vitas-M small molecule compound
(2Z)-7-[(dimethylammonio)methyl]-2-(3-methoxybenzylidene)-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855337
SMILES COc1cccc(c1)/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 C20H21NO4 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4/c1-12-8-16(22)15(11-21(2)3)20-18(12)19(23)17(25-20)10-13-6-5-7-14(9-13)24-4/h5-10,22H,11H2,1-4H3/b17-10-InChIKey
PSGSGLGAGBSKLL-YVLHZVERSA-NSynonyms
903852-67-5(2Z)7((dimethylammonio)methyl)2(3methoxybenzylidene)4methyl3oxo23dihydro1benzofuran6olate
(2Z)7((dimethylazaniumyl)methyl)2((3methoxyphenyl)methylidene)4methyl3oxo1benzofuran6olate
903852675
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=CC=C3)OC)O2)C(NH+)(C)C)(O)
COc1cccc(c1)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)(C)C)(O)
InChI=1SC20H21NO4c112816(22)15(1121(2)3)2018(12)19(23)17(2520)101365714(913)244h51022H11H214H3b1710
MFCD08293307
ZINC000020591674
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