Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-(furan-2-ylmethylidene)-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK854035
SMILES CCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1ccco1)/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 C21H24N2O4 MW 368.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O4/c1-3-22-6-8-23(9-7-22)13-16-17(24)11-14(2)19-20(25)18(27-21(16)19)12-15-5-4-10-26-15/h4-5,10-12,24H,3,6-9,13H2,1-2H3/b18-12-InChIKey
MBWCTJIYBBEMMJ-PDGQHHTCSA-NSynonyms
904499-86-1(2Z)7((4ethylpiperazin1ium1yl)methyl)2(furan2ylmethylidene)4methyl3oxo1benzofuran6olate
(2Z)7((4ethylpiperazin1ium1yl)methyl)2(furan2ylmethylidene)4methyl3oxo23dihydro1benzofuran6olate
904499861
CCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1ccco1)C2=O)C
CCN1CC(NH+)(CC1)CC2=C(C=C(C3=C2OC(=CC4=CC=CO4)C3=O)C)(O)
InChI=1SC21H24N2O4c13226823(9722)131617(24)1114(2)1920(25)18(2721(16)19)121554102615h45101224H36913H212H3b1812
MFCD08284837
ZINC000020572759
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