Vitas-M small molecule compound
(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK622603
SMILES O=C1/C(=C\c2cn(c3c2cccc3)C)/Oc2c1ccc(c2C[NH+]1CCOCC1)[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 C23H22N2O4 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4/c1-24-13-15(16-4-2-3-5-19(16)24)12-21-22(27)17-6-7-20(26)18(23(17)29-21)14-25-8-10-28-11-9-25/h2-7,12-13,26H,8-11,14H2,1H3/b21-12+InChIKey
ZGKLGHJVYWODEQ-CIAFOILYSA-NSynonyms
929433-69-2(2E)2((1methyl1Hindol3yl)methylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
(2E)6hydroxy2((1methylindol3yl)methylidene)7(morpholin4ylmethyl)1benzofuran3one
929433692
InChI=1SC23H22N2O4c1241315(16423519(16)24)122122(27)176720(26)18(23(17)2921)14258102811925h27121326H81114H21H3b2112+
MFCD09792355
O=C1C(=Cc2cn(c3c2cccc3)C)Oc2c1ccc(c2C(NH+)1CCOCC1)(O)
ZINC000020648888
ZINC20648888
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