Vitas-M small molecule compound
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-4-methyl-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK620761
SMILES CC1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)ccc(c3)Br)/C2=O)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 C25H24BrNO4 MW 482.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrNO4/c1-14-5-7-27(8-6-14)13-19-20(28)9-15(2)23-24(29)22(31-25(19)23)12-18-11-16-10-17(26)3-4-21(16)30-18/h3-4,9-12,14,28H,5-8,13H2,1-2H3/b22-12-InChIKey
KFKMTCIXZQJSTK-UUYOSTAYSA-NSynonyms
951968-95-9(2Z)2((5bromo1benzofuran2yl)methylidene)4methyl7((4methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2Z)2((5bromo1benzofuran2yl)methylidene)6hydroxy4methyl7((4methylpiperidin1yl)methyl)1benzofuran3one
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)6HYDROXY4METHYL7((4METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
CC1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O)C
CC1CCN(CC1)CC2=C(C=C(C3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)C)O
InChI=1SC25H24BrNO4c1145727(8614)131920(28)915(2)2324(29)22(3125(19)23)121811161017(26)3421(16)3018h349121428H5813H212H3b2212
MFCD09851876
ZINC000013690562
ZINC13690562
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