Vitas-M small molecule compound
(2Z)-7-[(4-methylpiperidinium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856314
SMILES CC1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/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 C21H23NO3S MW 369.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO3S/c1-13-5-8-22(9-6-13)12-16-17(23)4-3-15-20(24)18(25-21(15)16)11-19-14(2)7-10-26-19/h3-4,7,10-11,13,23H,5-6,8-9,12H2,1-2H3/b18-11-InChIKey
REQJCYJJYJXTBY-WQRHYEAKSA-NSynonyms
929506-21-8(2Z)6hydroxy7((4methylpiperidin1yl)methyl)2((3methylthiophen2yl)methylidene)1benzofuran3one
(2Z)7((4methylpiperidinium1yl)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
929506218
CC1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O
CC1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CS4)C)C3=O)O
InChI=1SC21H23NO3Sc1135822(9613)121617(23)431520(24)18(2521(15)16)111914(2)7102619h34710111323H568912H212H3b1811
MFCD09789984
ZINC000009483783
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