Vitas-M small molecule compound
(2Z)-7-[(3-methylpiperidinium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856611
SMILES CC1CCC[NH+](C1)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/c1-13-4-3-8-22(11-13)12-16-17(23)6-5-15-20(24)18(25-21(15)16)10-19-14(2)7-9-26-19/h5-7,9-10,13,23H,3-4,8,11-12H2,1-2H3/b18-10-InChIKey
QKWUDUSLAZBPFH-ZDLGFXPLSA-NSynonyms
929506-36-5(2Z)6hydroxy7((3methylpiperidin1yl)methyl)2((3methylthiophen2yl)methylidene)1benzofuran3one
(2Z)7((3methylpiperidinium1yl)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
929506365
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O
CC1CCCN(C1)CC2=C(C=CC3=C2OC(=CC4=C(C=CS4)C)C3=O)O
InChI=1SC21H23NO3Sc11343822(1113)121617(23)651520(24)18(2521(15)16)101914(2)792619h579101323H3481112H212H3b1810
MFCD09795202
ZINC000009476678
ZINC000009476679
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