Vitas-M small molecule compound

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(diethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STL516172
SMILES CC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/C2=O)CC

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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 C21H21NO5 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5/c1-3-22(4-2)11-15-16(23)7-6-14-20(24)19(27-21(14)15)10-13-5-8-17-18(9-13)26-12-25-17/h5-10,23H,3-4,11-12H2,1-2H3/b19-10-
InChIKey
DRBMHKRCQJFUBS-GRSHGNNSSA-N
Synonyms
859663-10-8
(2~(Z))2(13benzodioxol5ylmethylidene)7((diethylazaniumyl)methyl)3oxo1benzofuran6olate
(2Z)2(13benzodioxol5ylmethylidene)7((diethylammonio)methyl)3oxo23dihydro1benzofuran6olate
29094031
859663108
MFCD06494201
ZINC000020611092

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Available files

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