Vitas-M small molecule compound

(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(diethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856260
SMILES CC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Br)cc3c1OCOC3)/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 C22H22BrNO5 MW 460.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrNO5/c1-3-24(4-2)10-17-18(25)6-5-16-20(26)19(29-22(16)17)9-13-7-15(23)8-14-11-27-12-28-21(13)14/h5-9,25H,3-4,10-12H2,1-2H3/b19-9-
InChIKey
GVFMBWPIEVKFNN-OCKHKDLRSA-N
Synonyms
929457-38-5
(2Z)2((6bromo4H13benzodioxin8yl)methylidene)7((diethylammonio)methyl)3oxo23dihydro1benzofuran6olate
(2Z)2((6bromo4H13benzodioxin8yl)methylidene)7((diethylazaniumyl)methyl)3oxo1benzofuran6olate
929457385
CC(NH+)(CC)CC1=C(C=CC2=C1OC(=CC3=CC(=CC4=C3OCOC4)Br)C2=O)(O)
CC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc(Br)cc3c1OCOC3)C2=O)CC
InChI=1SC22H22BrNO5c1324(42)101718(25)651620(26)19(2922(16)17)913715(23)8141127122821(13)14h5925H341012H212H3b199
MFCD09792624
ZINC000020649774

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Available files

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