Vitas-M small molecule compound
(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK622896
SMILES CC1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc(Br)cc3c1OCOC3)/C2=O
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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/c1-14-4-6-26(7-5-14)11-19-20(27)3-2-18-22(28)21(31-24(18)19)10-15-8-17(25)9-16-12-29-13-30-23(15)16/h2-3,8-10,14,27H,4-7,11-13H2,1H3/b21-10-InChIKey
CMPUVCNEPHAFAI-FBHDLOMBSA-NSynonyms
929398-19-6(2Z)2((6bromo4H13benzodioxin8yl)methylidene)7((4methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((6BROMO(2H4HBENZO(E)13DIOXAN8YL))METHYLENE)6HYDROXY7((4METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
CC1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc(Br)cc3c1OCOC3)C2=O
MFCD09797750
ZINC000020647476
ZINC20647476
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