Vitas-M small molecule compound
(2Z)-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848719
SMILES [O-]c1ccc2c(c1C[NH+]1CCCCC1C)O/C(=C\c1cccs1)/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 C20H21NO3S MW 355.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO3S/c1-13-5-2-3-9-21(13)12-16-17(22)8-7-15-19(23)18(24-20(15)16)11-14-6-4-10-25-14/h4,6-8,10-11,13,22H,2-3,5,9,12H2,1H3/b18-11-InChIKey
VAGQRUHSUPTKRQ-WQRHYEAKSA-NSynonyms
896597-51-6(2Z)6HYDROXY7((2METHYLPIPERIDIN1YL)METHYL)2(THIOPHEN2YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((2methylpiperidinium1yl)methyl)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6olate
(O)c1ccc2c(c1C(NH+)1CCCCC1C)OC(=Cc1cccs1)C2=O
6HYDROXY7((2METHYLPIPERIDYL)METHYL)2(2THIENYLMETHYLENE)BENZO(B)FURAN3ONE
896597516
CC1CCCCN1CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O
InChI=1SC20H21NO3Sc113523921(13)121617(22)871519(23)18(2420(15)16)111464102514h46810111322H235912H21H3b1811
MFCD06594916
ZINC000020503985
ZINC000020503986
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