Vitas-M small molecule compound
4-methylbenzyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406716
SMILES O=C1NC(=C(C(C1)c1ccccc1C(F)(F)F)C(=O)OCc1ccc(cc1)C)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 C22H20F3NO3 MW 403.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3NO3/c1-13-7-9-15(10-8-13)12-29-21(28)20-14(2)26-19(27)11-17(20)16-5-3-4-6-18(16)22(23,24)25/h3-10,17H,11-12H2,1-2H3,(H,26,27)InChIKey
TUUISDSKUJWLRB-UHFFFAOYSA-NSynonyms
(4METHYLPHENYL)METHYL2METHYL6OXO4(2(TRIFLUOROMETHYL)PHENYL)145TRIHYDROPYRIDINE3CARBOXYLATE
(4methylphenyl)methyl6methyl2oxo4(2(trifluoromethyl)phenyl)34dihydro1Hpyridine5carboxylate
4methylbenzyl2methyl6oxo4(2(trifluoromethyl)phenyl)1456tetrahydropyridine3carboxylate
CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)CC2C3=CC=CC=C3C(F)(F)F)C
InChI=1SC22H20F3NO3c1137915(10813)122921(28)2014(2)2619(27)1117(20)16534618(16)22(2324)25h31017H1112H212H3(H2627)
MFCD07613305
ZINC000004916700
ZINC000004916701
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