Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK630477
SMILES CC1CCC[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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-15-6-5-9-26(13-15)14-19-20(27)10-16(2)23-24(28)22(30-25(19)23)12-18-11-17-7-3-4-8-21(17)29-18/h3-4,7-8,10-12,15,27H,5-6,9,13-14H2,1-2H3/b22-12-InChIKey
YZTVZZSCIQVRIO-UUYOSTAYSA-NSynonyms
929843-83-4(2Z)2(1benzofuran2ylmethylidene)4methyl7((3methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)6hydroxy4methyl7((3methylpiperidin1yl)methyl)1benzofuran3one
2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXY4METHYL7((3METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
CC1CCC(NH+)(C1)Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C
CC1CCCN(C1)CC2=C(C=C(C3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)C)O
InChI=1SC25H25NO4c11565926(1315)141920(27)1016(2)2324(28)22(3025(19)23)12181117734821(17)2918h347810121527H5691314H212H3b2212
MFCD09797413
ZINC000020647517
ZINC000020647520
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