Vitas-M small molecule compound
2-amino-3-(ethoxycarbonyl)-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium
Catalog ID
STL147336
SMILES CCOC(=O)c1cc2[nH]c3c(c2[n+](c1N)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 C20H17N4O4 MW 377.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4/c1-2-28-20(25)15-11-17-18(14-5-3-4-6-16(14)22-17)23(19(15)21)12-7-9-13(10-8-12)24(26)27/h3-11H,2H2,1H3,(H2,21,22,25)/p+1InChIKey
DZGBNJGWYLRSJY-UHFFFAOYSA-OSynonyms
(O)C(=O)C(F)(F)FCCOC(=O)c1cc2(nH)c3c(c2(n+)(c1N)c1ccc(cc1)(N+)(=O)(O))cccc3
2amino3(ethoxycarbonyl)1(4nitrophenyl)5Hpyrido(32b)indol1ium
2amino3(ethoxycarbonyl)1(4nitrophenyl)5Hpyrido(32b)indol1ium222trifluoroacetate
CCOC(=O)C1=CC2=C(C3=CC=CC=C3N2)(N+)(=C1N)C4=CC=C(C=C4)(N+)(=O)(O)
CCOC(=O)c1cc2(nH)c3c(c2(n+)(c1N)c1ccc(cc1)(N+)(=O)(O))cccc3
ETHYL2AMINO1(4NITROPHENYL)5HPYRIDO(32B)INDOL1IUM3CARBOXYLATE
InChI=1SC20H16N4O4c122820(25)15111718(14534616(14)2217)23(19(15)21)127913(10812)24(26)27h311H2H21H3(H2212225)p+1
MFCD01955767
ZINC000334157006
ZINC01208769
ZINC01295207
ZINC1208769
ZINC1295207
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