Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK624454
SMILES CC1CC(C)C[NH+](C1)Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)cccc3)/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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-15-9-16(2)13-26(12-15)14-20-21(27)8-7-19-24(28)23(30-25(19)20)11-18-10-17-5-3-4-6-22(17)29-18/h3-8,10-11,15-16,27H,9,12-14H2,1-2H3/b23-11-InChIKey
IMNSCRNQWOBIAR-KSEXSDGBSA-NSynonyms
929848-01-1(2Z)2(1benzofuran2ylmethylidene)7((35dimethylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)7((35dimethylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)7((35DIMETHYLPIPERIDYL)METHYL)6HYDROXYBENZO(B)FURAN3ONE
CC1CC(C(NH+)(C1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)(O))C
CC1CC(C)C(NH+)(C1)Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)cccc3)C2=O
InChI=1SC25H25NO4c115916(2)1326(1215)142021(27)871924(28)23(3025(19)20)11181017534622(17)2918h381011151627H91214H212H3b2311
MFCD09789726
ZINC000013654582
ZINC000020647714
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