Vitas-M small molecule compound
1-[4-(diethylammonio)phenyl]-3-(ethoxycarbonyl)-2-methyl-1H-benzo[g]indol-5-olate
Catalog ID
STL039991
SMILES CCOC(=O)c1c2cc([O-])c3c(c2n(c1C)c1ccc(cc1)[NH+](CC)CC)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 C26H28N2O3 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O3/c1-5-27(6-2)18-12-14-19(15-13-18)28-17(4)24(26(30)31-7-3)22-16-23(29)20-10-8-9-11-21(20)25(22)28/h8-16,29H,5-7H2,1-4H3InChIKey
WEHYXLNETGENJT-UHFFFAOYSA-NSynonyms
312584-42-21(4(diethylammonio)phenyl)3(ethoxycarbonyl)2methyl1Hbenzo(g)indol5olate
1(4(DIETHYLAZANIUMYL)PHENYL)3ETHOXYCARBONYL2METHYLBENZO(G)INDOL5OLATE
312584422
CC(NH+)(CC)C1=CC=C(C=C1)N2C(=C(C3=C2C4=CC=CC=C4C(=C3)(O))C(=O)OCC)C
CCOC(=O)c1c2cc((O))c3c(c2n(c1C)c1ccc(cc1)(NH+)(CC)CC)cccc3
ETHYL1(4(DIETHYLAMINO)PHENYL)5HYDROXY2METHYLBENZO(G)INDOLE3CARBOXYLATE
InChI=1SC26H28N2O3c1527(62)18121419(151318)2817(4)24(26(30)3173)221623(29)2010891121(20)25(22)28h81629H57H214H3
MFCD01948597
ZINC000001808431
ZINC01808431
ZINC1808431
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