Vitas-M small molecule compound

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

Catalog ID
STK626317
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cccc3)C)/C2=O)Cc1ccccc1

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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 C27H24N2O3 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O3/c1-28(15-18-8-4-3-5-9-18)17-22-24(30)13-12-21-26(31)25(32-27(21)22)14-19-16-29(2)23-11-7-6-10-20(19)23/h3-14,16,30H,15,17H2,1-2H3/b25-14+
InChIKey
NEPZRGCKQFLNGT-AFUMVMLFSA-N
Synonyms
929433-98-7
(2E)7((benzyl(methyl)amino)methyl)6hydroxy2((1methylindol3yl)methylidene)1benzofuran3one
(2E)7((benzyl(methyl)ammonio)methyl)2((1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
929433987
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cccc3)C)C2=O)Cc1ccccc1
InChI=1SC27H24N2O3c128(15188435918)172224(30)13122126(31)25(3227(21)22)14191629(2)2311761020(19)23h3141630H1517H212H3b2514+
MFCD09794337
ZINC000020649156
ZINC20649156

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Available files

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