Vitas-M small molecule compound
(2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK624803
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCOCC1)[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 C25H26N2O5 MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O5/c1-3-27-14-16(19-13-17(30-2)4-6-21(19)27)12-23-24(29)18-5-7-22(28)20(25(18)32-23)15-26-8-10-31-11-9-26/h4-7,12-14,28H,3,8-11,15H2,1-2H3/b23-12+InChIKey
RTFJOYSWAPNHLV-FSJBWODESA-NSynonyms
929848-76-0(2E)2((1ethyl5methoxy1Hindol3yl)methylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
(2E)2((1ethyl5methoxyindol3yl)methylidene)7(morpholin4ium4ylmethyl)3oxo1benzofuran6olate
929848760
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)(O))C(NH+)5CCOCC5
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)1CCOCC1)(O))cn2CC
InChI=1SC25H26N2O5c13271416(191317(302)4621(19)27)122324(29)185722(28)20(25(18)3223)15268103111926h47121428H381115H212H3b2312+
MFCD09793601
ZINC000020647759
ZINC20647759
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