Vitas-M small molecule compound

(2Z)-7-[(dimethylammonio)methyl]-2-(4-methoxybenzylidene)-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK855681
SMILES COc1ccc(cc1)/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/c1-12-9-16(22)15(11-21(2)3)20-18(12)19(23)17(25-20)10-13-5-7-14(24-4)8-6-13/h5-10,22H,11H2,1-4H3/b17-10-
InChIKey
ROZIVAFMDKWBTF-YVLHZVERSA-N
Synonyms
904008-03-3
(2Z)7((dimethylamino)methyl)6hydroxy2((4methoxyphenyl)methylidene)4methyl1benzofuran3one
(2Z)7((dimethylammonio)methyl)2(4methoxybenzylidene)4methyl3oxo23dihydro1benzofuran6olate
904008033
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)OC)O2)CN(C)C)O
COc1ccc(cc1)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)(C)C)(O)
InChI=1SC20H21NO4c112916(22)15(1121(2)3)2018(12)19(23)17(2520)10135714(244)8613h51022H11H214H3b1710
MFCD08285982
ZINC000020573311

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Available files

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