Vitas-M small molecule compound
3-cyclopentyl 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404839
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(cc1)C(F)(F)F)C(=C(N2)C)C(=O)OC1CCCC1
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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 C26H28F3NO5 MW 491.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28F3NO5/c1-13-12-18-22(23(31)19(13)24(32)34-3)21(15-8-10-16(11-9-15)26(27,28)29)20(14(2)30-18)25(33)35-17-6-4-5-7-17/h8-11,13,17,19,21,30H,4-7,12H2,1-3H3InChIKey
XFSTXMVKJPURGL-UHFFFAOYSA-NSynonyms
3cyclopentyl6methyl27dimethyl5oxo4(4(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
3Ocyclopentyl6Omethyl27dimethyl5oxo4(4(trifluoromethyl)phenyl)4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCC3)C4=CC=C(C=C4)C(F)(F)F)C(=O)C1C(=O)OC
InChI=1SC26H28F3NO5c113121822(23(31)19(13)24(32)343)21(1581016(11915)26(2728)29)20(14(2)3018)25(33)3517645717h8111317192130H4712H213H3
MFCD05029192
ZINC000020406817
ZINC000239433114
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