Vitas-M small molecule compound
(2E)-7-(azepanium-1-ylmethyl)-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK618032
SMILES O=C1/C(=C\c2cn(c3c2cccc3)C)/Oc2c1ccc(c2C[NH+]1CCCCCC1)[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 C25H26N2O3 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O3/c1-26-15-17(18-8-4-5-9-21(18)26)14-23-24(29)19-10-11-22(28)20(25(19)30-23)16-27-12-6-2-3-7-13-27/h4-5,8-11,14-15,28H,2-3,6-7,12-13,16H2,1H3/b23-14+InChIKey
QQQRMOCVPMLHGQ-OEAKJJBVSA-NSynonyms
929488-91-5(2E)7(azepan1ylmethyl)6hydroxy2((1methylindol3yl)methylidene)1benzofuran3one
(2E)7(azepanium1ylmethyl)2((1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
929488915
InChI=1SC25H26N2O3c1261517(18845921(18)26)142324(29)19101122(28)20(25(19)3023)16271262371327h45811141528H2367121316H21H3b2314+
MFCD09794134
O=C1C(=Cc2cn(c3c2cccc3)C)Oc2c1ccc(c2C(NH+)1CCCCCC1)(O)
ZINC000020650465
ZINC20650465
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