Vitas-M small molecule compound
(2Z)-2-benzylidene-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853953
SMILES CN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1ccccc1)/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/c1-15-12-18(25)17(14-24-10-8-23(2)9-11-24)22-20(15)21(26)19(27-22)13-16-6-4-3-5-7-16/h3-7,12-13,25H,8-11,14H2,1-2H3/b19-13-InChIKey
YMXCWUNIQYFHLL-UYRXBGFRSA-NSynonyms
903202-60-8(2Z)2benzylidene4methyl7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
903202608
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CC=C3)O2)CN4CCN(CC4)C)O
CN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1ccccc1)C2=O)C
InChI=1SC22H24N2O3c1151218(25)17(142410823(2)91124)2220(15)21(26)19(2722)13166435716h37121325H81114H212H3b1913
MFCD08285667
ZINC000020573205
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