Vitas-M small molecule compound
(2Z)-4-methyl-3-oxo-7-(piperidinium-1-ylmethyl)-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855902
SMILES Cc1cc([O-])c(c2c1C(=O)/C(=C/c1cccnc1)/O2)C[NH+]1CCCCC1
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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/c1-14-10-17(24)16(13-23-8-3-2-4-9-23)21-19(14)20(25)18(26-21)11-15-6-5-7-22-12-15/h5-7,10-12,24H,2-4,8-9,13H2,1H3/b18-11-InChIKey
UHNQLIFSARUNBB-WQRHYEAKSA-NSynonyms
903864-44-8(2Z)4methyl3oxo7(piperidinium1ylmethyl)2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
(2Z)6hydroxy4methyl7(piperidin1ylmethyl)2(pyridin3ylmethylidene)1benzofuran3one
903864448
CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)CN4CCCCC4)O
Cc1cc((O))c(c2c1C(=O)C(=Cc1cccnc1)O2)C(NH+)1CCCCC1
InChI=1SC21H22N2O3c1141017(24)16(13238324923)2119(14)20(25)18(2621)1115657221215h57101224H248913H21H3b1811
MFCD08290479
ZINC000020589813
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