Vitas-M small molecule compound
2-phenylethyl 2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK045029
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CCC2)OCCc1ccccc1
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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 C26H24F3NO3 MW 455.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24F3NO3/c1-16-22(25(32)33-15-14-17-6-3-2-4-7-17)23(24-20(30-16)8-5-9-21(24)31)18-10-12-19(13-11-18)26(27,28)29/h2-4,6-7,10-13,23,30H,5,8-9,14-15H2,1H3InChIKey
OBWWIRKFEJLXJK-UHFFFAOYSA-NSynonyms
2phenylethyl2methyl5oxo4(4(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
2phenylethyl2methyl5oxo4(4(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)OCCC4=CC=CC=C4
InChI=1SC26H24F3NO3c11622(25(32)331514176324717)23(2420(3016)85921(24)31)18101219(131118)26(2728)29h246710132330H5891415H21H3
MFCD02105312
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CCC2)OCCc1ccccc1
STK045029
ZINC000000710787
ZINC000000710788
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