Vitas-M small molecule compound
(2E)-7-[(dibutylammonio)methyl]-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK623158
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cccc3)C)/C2=O)CCCC
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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/c1-4-6-14-29(15-7-5-2)18-22-24(30)13-12-21-26(31)25(32-27(21)22)16-19-17-28(3)23-11-9-8-10-20(19)23/h8-13,16-17,30H,4-7,14-15,18H2,1-3H3/b25-16+InChIKey
DBGDDNVVIJTJOT-PCLIKHOPSA-NSynonyms
929434-22-0(2E)7((dibutylamino)methyl)6hydroxy2((1methylindol3yl)methylidene)1benzofuran3one
(2E)7((dibutylammonio)methyl)2((1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
929434220
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cccc3)C)C2=O)CCCC
CCCCN(CCCC)CC1=C(C=CC2=C1OC(=CC3=CN(C4=CC=CC=C43)C)C2=O)O
InChI=1SC27H32N2O3c1461429(15752)182224(30)13122126(31)25(3227(21)22)16191728(3)2311981020(19)23h813161730H47141518H213H3b2516+
MFCD09795877
ZINC000020646680
ZINC20646680
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