Vitas-M small molecule compound
(2E)-7-[(dimethylammonio)methyl]-2-[(1-ethyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK628018
SMILES CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2C[NH+](C)C)[O-]
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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 C22H22N2O3 MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O3/c1-4-24-12-14(15-7-5-6-8-18(15)24)11-20-21(26)16-9-10-19(25)17(13-23(2)3)22(16)27-20/h5-12,25H,4,13H2,1-3H3/b20-11+InChIKey
NEHVMHHNIOSNQY-RGVLZGJSSA-NSynonyms
929512-60-7(2E)7((dimethylamino)methyl)2((1ethylindol3yl)methylidene)6hydroxy1benzofuran3one
(2E)7((dimethylammonio)methyl)2((1ethyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
929512607
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN(C)C
CCn1cc(c2c1cccc2)C=C1Oc2c(C1=O)ccc(c2C(NH+)(C)C)(O)
InChI=1SC22H22N2O3c14241214(15756818(15)24)112021(26)1691019(25)17(1323(2)3)22(16)2720h51225H413H213H3b2011+
MFCD09795968
ZINC000020649937
ZINC20649937
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