Vitas-M small molecule compound
(2E)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK618929
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+](CC(C)C)CC(C)C)[O-])cn2CC
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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 C29H36N2O4 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O4/c1-7-31-16-20(23-13-21(34-6)8-10-25(23)31)12-27-28(33)22-9-11-26(32)24(29(22)35-27)17-30(14-18(2)3)15-19(4)5/h8-13,16,18-19,32H,7,14-15,17H2,1-6H3/b27-12+InChIKey
OAIYMNINIDQUMT-KKMKTNMSSA-NSynonyms
929444-32-6(2E)7((bis(2methylpropyl)amino)methyl)2((1ethyl5methoxyindol3yl)methylidene)6hydroxy1benzofuran3one
(2E)7((bis(2methylpropyl)ammonio)methyl)2((1ethyl5methoxy1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
929444326
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN(CC(C)C)CC(C)C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)(CC(C)C)CC(C)C)(O))cn2CC
InChI=1SC29H36N2O4c17311620(231321(346)81025(23)31)122728(33)2291126(32)24(29(22)3527)1730(1418(2)3)1519(4)5h81316181932H7141517H216H3b2712+
MFCD09794684
ZINC000020647555
ZINC20647555
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