Vitas-M small molecule compound
methyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK405336
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccccc1C(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(14-6-3-4-7-15(14)23(24,25)26)21-16(27-12)10-13(11-17(21)28)18-8-5-9-31-18/h3-9,13,20,27H,10-11H2,1-2H3InChIKey
ALEVSAGTMVIFJA-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=CC=C4C(F)(F)F)C(=O)OC
InChI=1SC23H20F3NO3Sc11219(22(29)302)20(14634715(14)23(2425)26)2116(2712)1013(1117(21)28)188593118h39132027H1011H212H3
methyl2methyl5oxo7(thiophen2yl)4(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
methyl2methyl5oxo7thiophen2yl4(2(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD03999740
ZINC000001127595
ZINC000001127612
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Check stock on Vitas-MAvailable files
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