Vitas-M small molecule compound
(2Z)-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848356
SMILES CC1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccncc1)/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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-14-6-10-23(11-7-14)13-17-18(24)3-2-16-20(25)19(26-21(16)17)12-15-4-8-22-9-5-15/h2-5,8-9,12,14,24H,6-7,10-11,13H2,1H3/b19-12-InChIKey
BZBXHDVRFIBQRJ-UNOMPAQXSA-NSynonyms
900285-31-6900285316
CC1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccncc1)C2=O
MFCD06611384
ZINC000020533430
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