Vitas-M small molecule compound

(2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-(furan-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856292
SMILES CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccco1)/C2=O)CC(C)C)C

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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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-14(2)11-23(12-15(3)4)13-18-19(24)8-7-17-21(25)20(27-22(17)18)10-16-6-5-9-26-16/h5-10,14-15,24H,11-13H2,1-4H3/b20-10-
InChIKey
DMRDPTHWZDPKBK-JMIUGGIZSA-N
Synonyms
929456-37-1
(2Z)7((bis(2methylpropyl)ammonio)methyl)2(furan2ylmethylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((bis(2methylpropyl)azaniumyl)methyl)2(furan2ylmethylidene)3oxo1benzofuran6olate
929456371
CC(C(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccco1)C2=O)CC(C)C)C
CC(C)C(NH+)(CC1=C(C=CC2=C1OC(=CC3=CC=CO3)C2=O)(O))CC(C)C
InChI=1SC22H27NO4c114(2)1123(1215(3)4)131819(24)871721(25)20(2722(17)18)10166592616h510141524H1113H214H3b2010
MFCD09795333
ZINC000020649378

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Available files

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