Vitas-M small molecule compound
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK629563
SMILES CC1CCC[NH+](C1)Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)ccc(c3)Br)/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 C24H22BrNO4 MW 468.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrNO4/c1-14-3-2-8-26(12-14)13-19-20(27)6-5-18-23(28)22(30-24(18)19)11-17-10-15-9-16(25)4-7-21(15)29-17/h4-7,9-11,14,27H,2-3,8,12-13H2,1H3/b22-11-InChIKey
QFVXMVUGSDWAHF-JJFYIABZSA-NSynonyms
929398-28-7(2Z)2((5bromo1benzofuran2yl)methylidene)7((3methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)6HYDROXY7((3METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O
MFCD09790907
ZINC000013681772
ZINC000013681775
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