Vitas-M small molecule compound
3-butan-2-yl 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK405029
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)C(C(C2)C)C(=O)OC)C
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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 C25H28F3NO5 MW 479.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28F3NO5/c1-6-13(3)34-24(32)19-14(4)29-17-11-12(2)18(23(31)33-5)22(30)21(17)20(19)15-7-9-16(10-8-15)25(26,27)28/h7-10,12-13,18,20,29H,6,11H2,1-5H3InChIKey
GZDYJSCEGYKXBI-UHFFFAOYSA-NSynonyms
3butan2yl6methyl27dimethyl5oxo4(4(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
3Obutan2yl6Omethyl27dimethyl5oxo4(4(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(F)(F)F)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H28F3NO5c1613(3)3424(32)1914(4)29171112(2)18(23(31)335)22(30)21(17)20(19)157916(10815)25(2627)28h7101213182029H611H215H3
MFCD05029208
ZINC000035898372
ZINC000229938238
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