Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK630055
SMILES CC1CC(C)C[NH+](C1)Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)cccc3)/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 C26H27NO4 MW 417.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO4/c1-15-8-16(2)13-27(12-15)14-20-21(28)9-17(3)24-25(29)23(31-26(20)24)11-19-10-18-6-4-5-7-22(18)30-19/h4-7,9-11,15-16,28H,8,12-14H2,1-3H3/b23-11-InChIKey
YUNMJVNLVISFQA-KSEXSDGBSA-NSynonyms
929809-83-6(2Z)2(1benzofuran2ylmethylidene)7((35dimethylpiperidin1yl)methyl)6hydroxy4methyl1benzofuran3one
(2Z)2(1benzofuran2ylmethylidene)7((35dimethylpiperidinium1yl)methyl)4methyl3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)7((35DIMETHYLPIPERIDYL)METHYL)6HYDROXY4METHYLBENZO(B)FURAN3ONE
CC1CC(C)C(NH+)(C1)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C
CC1CC(CN(C1)CC2=C(C=C(C3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)C)O)C
InChI=1SC26H27NO4c115816(2)1327(1215)142021(28)917(3)2425(29)23(3126(20)24)11191018645722(18)3019h47911151628H81214H213H3b2311
MFCD09798603
ZINC000013654049
ZINC000020625210
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