Vitas-M small molecule compound
ethyl 4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK687137
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1cccc(c1)[N+](=O)[O-])c1ccccc1C(F)(F)F
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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)26-19(23-11-6-12-41-23)14-22-25(27(26)36)18(16-7-5-8-17(13-16)34(38)39)15-24(35)33(22)21-10-4-3-9-20(21)29(30,31)32/h3-13,18-19,26H,2,14-15H2,1H3InChIKey
BYGMAEJJPWIKOR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1cccc(c1)(N+)(=O)(O))c1ccccc1C(F)(F)F
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=CC=C3C(F)(F)F)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CS5
ethyl4(3nitrophenyl)25dioxo7(thiophen2yl)1(2(trifluoromethyl)phenyl)12345678octahydroquinoline6carboxylate
ethyl4(3nitrophenyl)25dioxo7thiophen2yl1(2(trifluoromethyl)phenyl)4678tetrahydro3Hquinoline6carboxylate
InChI=1SC29H23F3N2O6Sc124028(37)2619(23116124123)142225(27(26)36)18(1675817(1316)34(38)39)1524(35)33(22)211043920(21)29(3031)32h313181926H21415H21H3
MFCD06617538
ZINC000098008204
ZINC000103024054
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