Vitas-M small molecule compound
methyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK962231
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COCC(F)(F)F)OC)C(=O)CC(C2)(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 C24H28F3NO5 MW 467.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28F3NO5/c1-13-19(22(30)32-5)20(21-16(28-13)9-23(2,3)10-17(21)29)14-6-7-18(31-4)15(8-14)11-33-12-24(25,26)27/h6-8,20,28H,9-12H2,1-5H3InChIKey
ITJDMBPINCUSAJ-UHFFFAOYSA-NSynonyms
352686-93-2352686932
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)COCC(F)(F)F)C(=O)OC
InChI=1SC24H28F3NO5c11319(22(30)325)20(2116(2813)923(23)1017(21)29)146718(314)15(814)11331224(2526)27h682028H912H215H3
methyl4(4methoxy3((222trifluoroethoxy)methyl)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4methoxy3(222trifluoroethoxymethyl)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD01450296
ZINC000000996588
ZINC000000996589
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