Vitas-M small molecule compound
methyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK007874
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C(F)(F)F)C(=O)CC(C2)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 C23H20F3NO3S MW 447.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3NO3S/c1-12-19(22(29)30-2)20(13-5-3-6-15(9-13)23(24,25)26)21-16(27-12)10-14(11-17(21)28)18-7-4-8-31-18/h3-9,14,20,27H,10-11H2,1-2H3InChIKey
RFBYMWAFDRFDDM-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)C(F)(F)F)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C(F)(F)F)C(=O)CC(C2)c1cccs1
InChI=1SC23H20F3NO3Sc11219(22(29)302)20(1353615(913)23(2425)26)2116(2712)1014(1117(21)28)187483118h39142027H1011H212H3
methyl2methyl5oxo7(thiophen2yl)4(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
methyl2methyl5oxo7thiophen2yl4(3(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD02188176
STK007874
ZINC000000717034
ZINC000000717037
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