Vitas-M small molecule compound

(2Z)-4-methyl-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK854637
SMILES CC1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1ccncc1)/C2=O)C

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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 C22H24N2O3 MW 364.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3/c1-14-5-9-24(10-6-14)13-17-18(25)11-15(2)20-21(26)19(27-22(17)20)12-16-3-7-23-8-4-16/h3-4,7-8,11-12,14,25H,5-6,9-10,13H2,1-2H3/b19-12-
InChIKey
ZXNXXSUWBGGOEH-UNOMPAQXSA-N
Synonyms
904511-90-6
(2Z)4methyl7((4methylpiperidin1ium1yl)methyl)3oxo2(pyridin4ylmethylidene)1benzofuran6olate
(2Z)4methyl7((4methylpiperidinium1yl)methyl)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
904511906
CC1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1ccncc1)C2=O)C
CC1CC(NH+)(CC1)CC2=C(C=C(C3=C2OC(=CC4=CC=NC=C4)C3=O)C)(O)
InChI=1SC22H24N2O3c1145924(10614)131718(25)1115(2)2021(26)19(2722(17)20)121637238416h347811121425H5691013H212H3b1912
MFCD08285030
ZINC000020572878

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Available files

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