Vitas-M small molecule compound
3-(ethoxycarbonyl)-2-methyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium
Catalog ID
STL040238
SMILES CCOC(=O)c1cc2[nH]c3c(c2[n+](c1C)c1ccc(cc1)[N+](=O)[O-])cccc3
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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 C21H18N3O4 MW 376.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4/c1-3-28-21(25)17-12-19-20(16-6-4-5-7-18(16)22-19)23(13(17)2)14-8-10-15(11-9-14)24(26)27/h4-12H,3H2,1-2H3/p+1InChIKey
IWNDGEOHPDTOLJ-UHFFFAOYSA-OSynonyms
3(ethoxycarbonyl)2methyl1(4nitrophenyl)5Hpyrido(32b)indol1ium
3(ethoxycarbonyl)2methyl1(4nitrophenyl)5Hpyrido(32b)indol1iumchloride
CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2)(N+)(=C1C)C4=CC=C(C=C4)(N+)(=O)(O)
CCOC(=O)c1cc2(nH)c3c(c2(n+)(c1C)c1ccc(cc1)(N+)(=O)(O))cccc3
CCOC(=O)c1cc2(nH)c3c(c2(n+)(c1C)c1ccc(cc1)(N+)(=O)(O))cccc3(Cl)
ETHYL2METHYL1(4NITROPHENYL)5HPYRIDO(32B)INDOL1IUM3CARBOXYLATE
InChI=1SC21H17N3O4c132821(25)17121920(16645718(16)2219)23(13(17)2)1481015(11914)24(26)27h412H3H212H3p+1
ZINC00977915
ZINC04310722
ZINC4310722
ZINC977915
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