Vitas-M small molecule compound
(2E)-7-[(dimethylammonio)methyl]-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK620251
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+](C)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 C22H22N2O4 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4/c1-23(2)12-17-19(25)8-6-15-21(26)20(28-22(15)17)9-13-11-24(3)18-7-5-14(27-4)10-16(13)18/h5-11,25H,12H2,1-4H3/b20-9+InChIKey
KNOHSJZKBFUZQM-AWQFTUOYSA-NSynonyms
929434-88-8(2E)7((dimethylammonio)methyl)2((5methoxy1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
(2E)7((dimethylazaniumyl)methyl)2((5methoxy1methylindol3yl)methylidene)3oxo1benzofuran6olate
929434888
CN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)(O))C(NH+)(C)C
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)(C)C)(O))cn2C
InChI=1SC22H22N2O4c123(2)121719(25)861521(26)20(2822(15)17)9131124(3)187514(274)1016(13)18h51125H12H214H3b209+
MFCD09794020
ZINC000020647461
ZINC20647461
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