Vitas-M small molecule compound
(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK619986
SMILES Brc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCOCC2)[O-])c2c(c1)COCO2
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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 C22H20BrNO6 MW 474.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO6/c23-15-7-13(21-14(8-15)11-28-12-29-21)9-19-20(26)16-1-2-18(25)17(22(16)30-19)10-24-3-5-27-6-4-24/h1-2,7-9,25H,3-6,10-12H2/b19-9-InChIKey
GKVYDTNWLFTESV-OCKHKDLRSA-NSynonyms
929489-01-0(2Z)2((6bromo4H13benzodioxin8yl)methylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
2((6BROMO(2H4HBENZO(E)13DIOXAN8YL))METHYLENE)6HYDROXY7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
Brc1cc(C=C2Oc3c(C2=O)ccc(c3C(NH+)2CCOCC2)(O))c2c(c1)COCO2
MFCD09791705
ZINC000020650133
ZINC20650133
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