Vitas-M small molecule compound
ethyl 4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686188
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2c1cccc(c1)C(F)(F)F)c1cccc(c1)[N+](=O)[O-])c1cccs1
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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 C29H23F3N2O6S MW 584.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23F3N2O6S/c1-2-40-28(37)26-21(23-10-5-11-41-23)14-22-25(27(26)36)20(16-6-3-9-19(12-16)34(38)39)15-24(35)33(22)18-8-4-7-17(13-18)29(30,31)32/h3-13,20-21,26H,2,14-15H2,1H3InChIKey
BAGMIDNHTXPJLG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2c1cccc(c1)C(F)(F)F)c1cccc(c1)(N+)(=O)(O))c1cccs1
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=CC(=C3)C(F)(F)F)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CS5
ethyl4(3nitrophenyl)25dioxo7(thiophen2yl)1(3(trifluoromethyl)phenyl)12345678octahydroquinoline6carboxylate
ethyl4(3nitrophenyl)25dioxo7thiophen2yl1(3(trifluoromethyl)phenyl)4678tetrahydro3Hquinoline6carboxylate
InChI=1SC29H23F3N2O6Sc124028(37)2621(23105114123)142225(27(26)36)20(1663919(1216)34(38)39)1524(35)33(22)1884717(1318)29(3031)32h313202126H21415H21H3
MFCD06015046
ZINC000098007870
ZINC000217672386
Check stock
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