Vitas-M small molecule compound
(2Z)-7-[(4-methylpiperidinium-1-yl)methyl]-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK850423
SMILES CC1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)[N+](=O)[O-])/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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-14-7-9-23(10-8-14)13-18-19(25)6-5-17-21(26)20(29-22(17)18)12-15-3-2-4-16(11-15)24(27)28/h2-6,11-12,14,25H,7-10,13H2,1H3/b20-12-InChIKey
WDZQVHNDOWNKHZ-NDENLUEZSA-NSynonyms
900281-21-2900281212
CC1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccc(c1)(N+)(=O)(O))C2=O
MFCD06613901
ZINC000020533534
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