Vitas-M small molecule compound

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

Catalog ID
STK856555
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(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 C21H23NO6 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO6/c1-22(2)11-14-15(23)7-6-13-19(24)16(28-20(13)14)8-12-9-17(25-3)21(27-5)18(10-12)26-4/h6-10,23H,11H2,1-5H3/b16-8-
InChIKey
QVFWBQWKYSUZAJ-PXNMLYILSA-N
Synonyms
2042185-47-5
(2Z)7((dimethylammonio)methyl)3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
(2Z)7((dimethylazaniumyl)methyl)3oxo2((345trimethoxyphenyl)methylidene)1benzofuran6olate
2042185475
C(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)(O)
COc1cc(C=C2Oc3c(C2=O)ccc(c3C(NH+)(C)C)(O))cc(c1OC)OC
InChI=1SC21H23NO6c122(2)111415(23)761319(24)16(2820(13)14)812917(253)21(275)18(1012)264h61023H11H215H3b168
MFCD06405714
ZINC000013653712

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Available files

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