Vitas-M small molecule compound
(2Z)-2-(furan-2-ylmethylidene)-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850258
SMILES [O-]c1ccc2c(c1C[NH+]1CCCCC1C)O/C(=C\c1ccco1)/C2=O
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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 C20H21NO4 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4/c1-13-5-2-3-9-21(13)12-16-17(22)8-7-15-19(23)18(25-20(15)16)11-14-6-4-10-24-14/h4,6-8,10-11,13,22H,2-3,5,9,12H2,1H3/b18-11-InChIKey
ROYOMSAHTGNDLS-WQRHYEAKSA-NSynonyms
896070-05-6(2Z)2(FURAN2YLMETHYLIDENE)6HYDROXY7((2METHYLPIPERIDIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2(furan2ylmethylidene)7((2methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(furan2ylmethylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(O)c1ccc2c(c1C(NH+)1CCCCC1C)OC(=Cc1ccco1)C2=O
2(2FURYLMETHYLENE)6HYDROXY7((2METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
896070056
CC1CCCC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CC=CO4)C3=O)(O)
InChI=1SC20H21NO4c113523921(13)121617(22)871519(23)18(2520(15)16)111464102414h46810111322H235912H21H3b1811
MFCD06592066
ZINC000020503383
ZINC000020503386
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