Vitas-M small molecule compound

(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK625398
SMILES O=C1/C(=C\c2cn(c3c2cccc3)C)/Oc2c1ccc(c2C[NH+]1CCCCC1C)[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/c1-16-7-5-6-12-27(16)15-20-22(28)11-10-19-24(29)23(30-25(19)20)13-17-14-26(2)21-9-4-3-8-18(17)21/h3-4,8-11,13-14,16,28H,5-7,12,15H2,1-2H3/b23-13+
InChIKey
OFZIQMLPDKGXPI-YDZHTSKRSA-N
Synonyms
929434-28-6
(2E)2((1methyl1Hindol3yl)methylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)6hydroxy2((1methylindol3yl)methylidene)7((2methylpiperidin1yl)methyl)1benzofuran3one
929434286
InChI=1SC25H26N2O3c1167561227(16)152022(28)11101924(29)23(3025(19)20)13171426(2)21943818(17)21h3481113141628H571215H212H3b2313+
MFCD09789457
O=C1C(=Cc2cn(c3c2cccc3)C)Oc2c1ccc(c2C(NH+)1CCCCC1C)(O)
ZINC000020647243
ZINC000020647246

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Available files

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