Vitas-M small molecule compound
methyl 4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363441
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1c(F)c(F)c(c(c1F)F)F)OC)C(=O)CCC2
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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 C26H22F5NO5 MW 523.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22F5NO5/c1-11-17(26(34)36-3)18(19-14(32-11)5-4-6-15(19)33)12-7-8-16(35-2)13(9-12)10-37-25-23(30)21(28)20(27)22(29)24(25)31/h7-9,18,32H,4-6,10H2,1-3H3InChIKey
NUNDVTAZZJZDSZ-UHFFFAOYSA-NSynonyms
312697-82-8312697828
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)COC4=C(C(=C(C(=C4F)F)F)F)F)C(=O)OC
InChI=1SC26H22F5NO5c11117(26(34)363)18(1914(3211)54615(19)33)127816(352)13(912)10372523(30)21(28)20(27)22(29)24(25)31h791832H4610H213H3
methyl4(4methoxy3((23456pentafluorophenoxy)methyl)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
methyl4(4methoxy3((pentafluorophenoxy)methyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
MFCD01192086
ZINC000002759013
ZINC000002759014
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