Vitas-M small molecule compound
(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK621391
SMILES Brc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCCCC2C)[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 C24H24BrNO5 MW 486.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrNO5/c1-14-4-2-3-7-26(14)11-19-20(27)6-5-18-22(28)21(31-24(18)19)10-15-8-17(25)9-16-12-29-13-30-23(15)16/h5-6,8-10,14,27H,2-4,7,11-13H2,1H3/b21-10-InChIKey
GIJKNETWGHIMNQ-FBHDLOMBSA-NSynonyms
929433-78-3(2Z)2((6bromo4H13benzodioxin8yl)methylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((6BROMO(2H4HBENZO(E)13DIOXAN8YL))METHYLENE)6HYDROXY7((2METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
Brc1cc(C=C2Oc3c(C2=O)ccc(c3C(NH+)2CCCCC2C)(O))c2c(c1)COCO2
MFCD09795169
ZINC000020663602
ZINC000020663605
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