Vitas-M small molecule compound
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-4-methyl-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK618354
SMILES Brc1ccc2c(c1)cc(o2)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+]1CCCCC1C)[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 C25H24BrNO4 MW 482.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrNO4/c1-14-9-20(28)19(13-27-8-4-3-5-15(27)2)25-23(14)24(29)22(31-25)12-18-11-16-10-17(26)6-7-21(16)30-18/h6-7,9-12,15,28H,3-5,8,13H2,1-2H3/b22-12-InChIKey
BKFDPBDYWISQBE-UUYOSTAYSA-NSynonyms
929827-82-7(2Z)2((5bromo1benzofuran2yl)methylidene)4methyl7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2Z)2((5bromo1benzofuran2yl)methylidene)6hydroxy4methyl7((2methylpiperidin1yl)methyl)1benzofuran3one
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)6HYDROXY4METHYL7((2METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
Brc1ccc2c(c1)cc(o2)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCCCC1C)(O)
CC1CCCCN1CC2=C(C=C(C3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)C)O
InChI=1SC25H24BrNO4c114920(28)19(1327843515(27)2)2523(14)24(29)22(3125)121811161017(26)6721(16)3018h679121528H35813H212H3b2212
MFCD09789592
ZINC000020647753
ZINC000020647756
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