Vitas-M small molecule compound
(2Z)-7-{[butyl(methyl)ammonio]methyl}-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851878
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccnc1)/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 C20H22N2O3 MW 338.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3/c1-3-4-10-22(2)13-16-17(23)8-7-15-19(24)18(25-20(15)16)11-14-6-5-9-21-12-14/h5-9,11-12,23H,3-4,10,13H2,1-2H3/b18-11-InChIKey
BPCAXMVPVNTGJT-WQRHYEAKSA-NSynonyms
1178090-52-2(2Z)7((BUTYL(METHYL)AMINO)METHYL)6HYDROXY2(PYRIDIN3YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((butyl(methyl)ammonio)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
(2Z)7((butyl(methyl)azaniumyl)methyl)3oxo2(pyridin3ylmethylidene)1benzofuran6olate
1178090522
7((BUTYLMETHYLAMINO)METHYL)6HYDROXY2(3PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
CCCC(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CN=CC=C3)C2=O)(O)
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cccnc1)C2=O)C
InChI=1SC20H22N2O3c1341022(2)131617(23)871519(24)18(2520(15)16)1114659211214h59111223H341013H212H3b1811
MFCD06609339
ZINC000020533336
ZINC20533336
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