Vitas-M small molecule compound

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

Catalog ID
STK620706
SMILES CC1CC[NH+](CC1)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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-15-7-9-26(10-8-15)14-19-20(27)11-16(2)23-24(28)22(30-25(19)23)13-18-12-17-5-3-4-6-21(17)29-18/h3-6,11-13,15,27H,7-10,14H2,1-2H3/b22-13-
InChIKey
JRIJSYBCMCCOMD-XKZIYDEJSA-N
Synonyms
951934-36-4
(2Z)2(1benzofuran2ylmethylidene)4methyl7((4methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)4methyl7((4methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY4METHYL7((4METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
CC1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C
CC1CC(NH+)(CC1)CC2=C(C=C(C3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)C)(O)
InChI=1SC25H25NO4c1157926(10815)141920(27)1116(2)2324(28)22(3025(19)23)13181217534621(17)2918h3611131527H71014H212H3b2213
MFCD09852229
ZINC000013690996
ZINC13690996

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Available files

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