Vitas-M small molecule compound
(2Z)-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850292
SMILES CC1CC[NH+](CC1)Cc1c([O-])ccc2c1O/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/c1-13-6-8-21(9-7-13)12-16-17(22)5-4-15-19(23)18(24-20(15)16)11-14-3-2-10-25-14/h2-5,10-11,13,22H,6-9,12H2,1H3/b18-11-InChIKey
BBWNCFVWFPIWFP-WQRHYEAKSA-NSynonyms
896072-87-0(2Z)6HYDROXY7((4METHYLPIPERIDIN1YL)METHYL)2(THIOPHEN2YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4methylpiperidin1ium1yl)methyl)3oxo2(thiophen2ylmethylidene)1benzofuran6olate
(2Z)7((4methylpiperidinium1yl)methyl)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6olate
6HYDROXY7((4METHYLPIPERIDYL)METHYL)2(2THIENYLMETHYLENE)BENZO(B)FURAN3ONE
896072870
CC1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccs1)C2=O
CC1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)(O)
InChI=1SC20H21NO3Sc1136821(9713)121617(22)541519(23)18(2420(15)16)111432102514h2510111322H6912H21H3b1811
MFCD06592158
ZINC000020503417
ZINC20503417
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