Vitas-M small molecule compound

(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-4-methyl-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK627183
SMILES CC1CCC[NH+](C1)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/c1-14-4-3-7-27(12-14)13-19-20(28)8-15(2)23-24(29)22(31-25(19)23)11-18-10-16-9-17(26)5-6-21(16)30-18/h5-6,8-11,14,28H,3-4,7,12-13H2,1-2H3/b22-11-
InChIKey
OBTKYTYNXPLKMO-JJFYIABZSA-N
Synonyms
929969-63-1
(2Z)2((5bromo1benzofuran2yl)methylidene)4methyl7((3methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2((5bromo1benzofuran2yl)methylidene)4methyl7((3methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)6HYDROXY4METHYL7((3METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
CC1CCC(NH+)(C1)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O)C
CC1CCC(NH+)(C1)CC2=C(C=C(C3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)C)(O)
InChI=1SC25H24BrNO4c11443727(1214)131920(28)815(2)2324(29)22(3125(19)23)11181016917(26)5621(16)3018h568111428H3471213H212H3b2211
MFCD09795488
ZINC000020650655
ZINC000020650657

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Available files

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