Vitas-M small molecule compound
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK624015
SMILES CC1C[NH+](CC(C1)C)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 C26H26BrNO4 MW 496.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrNO4/c1-14-6-15(2)12-28(11-14)13-20-21(29)7-16(3)24-25(30)23(32-26(20)24)10-19-9-17-8-18(27)4-5-22(17)31-19/h4-5,7-10,14-15,29H,6,11-13H2,1-3H3/b23-10-InChIKey
CTESZPLXFKTHCM-RMORIDSASA-NSynonyms
929817-74-3(2Z)2((5bromo1benzofuran2yl)methylidene)7((35dimethylpiperidin1yl)methyl)6hydroxy4methyl1benzofuran3one
(2Z)2((5bromo1benzofuran2yl)methylidene)7((35dimethylpiperidinium1yl)methyl)4methyl3oxo23dihydro1benzofuran6olate
7((35DIMETHYLPIPERIDYL)METHYL)2((5BROMOBENZO(D)FURAN2YL)METHYLENE)6HYDROXY4METHYLBENZO(B)FURAN3ONE
929817743
CC1C(NH+)(CC(C1)C)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O)C
CC1CC(CN(C1)CC2=C(C=C(C3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)C)O)C
InChI=1SC26H26BrNO4c114615(2)1228(1114)132021(29)716(3)2425(30)23(3226(20)24)1019917818(27)4522(17)3119h45710141529H61113H213H3b2310
MFCD09797286
ZINC000013654754
ZINC000020648203
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