Vitas-M small molecule compound
ethyl 1-(4-fluorophenyl)-4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686738
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1ccc(cc1)F)C(=O)CC2c1cccc(c1)[N+](=O)[O-]
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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 C28H23FN2O6S MW 534.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23FN2O6S/c1-2-37-28(34)26-21(23-7-4-12-38-23)14-22-25(27(26)33)20(16-5-3-6-19(13-16)31(35)36)15-24(32)30(22)18-10-8-17(29)9-11-18/h3-13,20-21,26H,2,14-15H2,1H3InChIKey
YTTIWACZDOHBJN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1ccc(cc1)F)C(=O)CC2c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=C(C=C3)F)C4=CC(=CC=C4)(N+)(=O)(O))C5=CC=CS5
ethyl1(4fluorophenyl)4(3nitrophenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl1(4fluorophenyl)4(3nitrophenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC28H23FN2O6Sc123728(34)2621(2374123823)142225(27(26)33)20(1653619(1316)31(35)36)1524(32)30(22)1810817(29)91118h313202126H21415H21H3
MFCD06017369
ZINC000098008038
ZINC000103021884
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