Vitas-M small molecule compound
methyl 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK757014
SMILES COC(=O)C1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc3c(c1)OCO3)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 C25H21F3N2O5 MW 486.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21F3N2O5/c1-33-24(32)22-20(13-8-9-18-19(10-13)35-12-34-18)21-16(6-3-7-17(21)31)30(23(22)29)15-5-2-4-14(11-15)25(26,27)28/h2,4-5,8-11,20H,3,6-7,12,29H2,1H3InChIKey
IZKZYBQBYPLURR-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(N(C2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CCC2)C5=CC=CC(=C5)C(F)(F)F)N
InChI=1SC25H21F3N2O5c13324(32)2220(13891819(1013)35123418)2116(63717(21)31)30(23(22)29)1552414(1115)25(2627)28h24581120H3671229H21H3
methyl2amino4(13benzodioxol5yl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
methyl2amino4(13benzodioxol5yl)5oxo1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carboxylate
MFCD01240593
ZINC000000714601
ZINC000000714602
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