Vitas-M small molecule compound
3-(ethoxycarbonyl)-2,5-dimethyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium
Catalog ID
STL147104
SMILES CCOC(=O)c1cc2c([n+](c1C)c1ccc(cc1)[N+](=O)[O-])c1c(n2C)cccc1
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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 C22H20N3O4 MW 390.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N3O4/c1-4-29-22(26)18-13-20-21(17-7-5-6-8-19(17)23(20)3)24(14(18)2)15-9-11-16(12-10-15)25(27)28/h5-13H,4H2,1-3H3/q+1InChIKey
HHFLQFNREPUBFP-UHFFFAOYSA-NSynonyms
3(ethoxycarbonyl)25dimethyl1(4nitrophenyl)5Hpyrido(32b)indol1ium
3(ethoxycarbonyl)25dimethyl1(4nitrophenyl)5Hpyrido(32b)indol1iumiodide
CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2C)(N+)(=C1C)C4=CC=C(C=C4)(N+)(=O)(O)
CCOC(=O)c1cc2c((n+)(c1C)c1ccc(cc1)(N+)(=O)(O))c1c(n2C)cccc1
CCOC(=O)c1cc2c((n+)(c1C)c1ccc(cc1)(N+)(=O)(O))c1c(n2C)cccc1(I)
ETHYL25DIMETHYL1(4NITROPHENYL)PYRIDO(32B)INDOL1IUM3CARBOXYLATE
InChI=1SC22H20N3O4c142922(26)18132021(17756819(17)23(20)3)24(14(18)2)1591116(121015)25(27)28h513H4H213H3q+1
MFCD01950689
ZINC000004808308
ZINC04808308
ZINC4808308
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