Vitas-M small molecule compound
(2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK626286
SMILES CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cn(c3c1cccc3)C)/C2=O)CC(C)C)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 C27H32N2O3 MW 432.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O3/c1-17(2)13-29(14-18(3)4)16-22-24(30)11-10-21-26(31)25(32-27(21)22)12-19-15-28(5)23-9-7-6-8-20(19)23/h6-12,15,17-18,30H,13-14,16H2,1-5H3/b25-12-InChIKey
FTSBTGHEAVTOLG-ROTLSHHCSA-NSynonyms
(2Z)7((bis(2methylpropyl)ammonio)methyl)2((1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
7((BIS(2METHYLPROPYL)AMINO)METHYL)6HYDROXY2((1METHYLINDOL3YL)METHYLENE)BENZO(B)FURAN3ONE
CC(C(NH+)(Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cccc3)C)C2=O)CC(C)C)C
MFCD09795328
ZINC000028182432
ZINC28182432
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