Vitas-M small molecule compound
ethyl 2,5-dioxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686754
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)c1ccccc1C(F)(F)F)c1ccccc1
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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 C25H22F3NO4 MW 457.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22F3NO4/c1-2-33-24(32)22-16(14-8-4-3-5-9-14)12-19-21(23(22)31)17(13-20(30)29-19)15-10-6-7-11-18(15)25(26,27)28/h3-11,16-17,22H,2,12-13H2,1H3,(H,29,30)InChIKey
FGSXXPJBZQWKOH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2)C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4
ethyl25dioxo7phenyl4(2(trifluoromethyl)phenyl)12345678octahydroquinoline6carboxylate
ethyl25dioxo7phenyl4(2(trifluoromethyl)phenyl)134678hexahydroquinoline6carboxylate
InChI=1SC25H22F3NO4c123324(32)2216(148435914)121921(23(22)31)17(1320(30)2919)1510671118(15)25(2627)28h311161722H21213H21H3(H2930)
MFCD06017422
ZINC000012413017
ZINC000014944699
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