Vitas-M small molecule compound
(2Z)-4-methyl-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK854666
SMILES CC1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cccnc1)/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 C22H24N2O3 MW 364.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3/c1-14-5-8-24(9-6-14)13-17-18(25)10-15(2)20-21(26)19(27-22(17)20)11-16-4-3-7-23-12-16/h3-4,7,10-12,14,25H,5-6,8-9,13H2,1-2H3/b19-11-InChIKey
ORDXGXKFAFMEQL-ODLFYWEKSA-NSynonyms
903865-92-9(2Z)4methyl7((4methylpiperidin1ium1yl)methyl)3oxo2(pyridin3ylmethylidene)1benzofuran6olate
(2Z)4methyl7((4methylpiperidinium1yl)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
903865929
CC1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cccnc1)C2=O)C
CC1CC(NH+)(CC1)CC2=C(C=C(C3=C2OC(=CC4=CN=CC=C4)C3=O)C)(O)
InChI=1SC22H24N2O3c1145824(9614)131718(25)1015(2)2021(26)19(2722(17)20)1116437231216h34710121425H568913H212H3b1911
MFCD08290533
ZINC000020589848
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