Vitas-M small molecule compound

(2Z)-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK853632
SMILES COc1cc(/C=C/2\Oc3c(C2=O)c(C)cc(c3C[NH+](C)C)[O-])cc(c1OC)OC

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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 C22H25NO6 MW 399.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO6/c1-12-7-15(24)14(11-23(2)3)21-19(12)20(25)16(29-21)8-13-9-17(26-4)22(28-6)18(10-13)27-5/h7-10,24H,11H2,1-6H3/b16-8-
InChIKey
NEEVGWDWDTXATF-PXNMLYILSA-N
Synonyms
904511-28-0
(2Z)7((dimethylamino)methyl)6hydroxy4methyl2((345trimethoxyphenyl)methylidene)1benzofuran3one
(2Z)7((dimethylammonio)methyl)4methyl3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
904511280
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)O2)CN(C)C)O
COc1cc(C=C2Oc3c(C2=O)c(C)cc(c3C(NH+)(C)C)(O))cc(c1OC)OC
InChI=1SC22H25NO6c112715(24)14(1123(2)3)2119(12)20(25)16(2921)813917(264)22(286)18(1013)275h71024H11H216H3b168
MFCD08284968
ZINC000020572853

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Available files

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