Vitas-M small molecule compound
(2E)-7-{[benzyl(methyl)ammonio]methyl}-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK618113
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+](Cc1ccccc1)C)[O-])cn2C
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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 C28H26N2O4 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O4/c1-29(15-18-7-5-4-6-8-18)17-23-25(31)12-10-21-27(32)26(34-28(21)23)13-19-16-30(2)24-11-9-20(33-3)14-22(19)24/h4-14,16,31H,15,17H2,1-3H3/b26-13+InChIKey
QKPDWGYZXFACBT-LGJNPRDNSA-NSynonyms
929398-12-9(2E)7((benzyl(methyl)ammonio)methyl)2((5methoxy1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
(2E)7((benzyl(methyl)azaniumyl)methyl)2((5methoxy1methylindol3yl)methylidene)3oxo1benzofuran6olate
929398129
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)(Cc1ccccc1)C)(O))cn2C
InChI=1SC28H26N2O4c129(15187546818)172325(31)12102127(32)26(3428(21)23)13191630(2)2411920(333)1422(19)24h4141631H1517H213H3b2613+
MFCD09792843
ZINC000020646466
ZINC20646466
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