Vitas-M small molecule compound
ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK673449
SMILES CCOC(=O)C1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(c(c1)O)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 C26H25F3N2O5 MW 502.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25F3N2O5/c1-3-36-25(34)23-21(14-10-11-20(35-2)19(33)12-14)22-17(8-5-9-18(22)32)31(24(23)30)16-7-4-6-15(13-16)26(27,28)29/h4,6-7,10-13,21,33H,3,5,8-9,30H2,1-2H3InChIKey
BUPBXZXQWALEEP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC(=C(C=C3)OC)O)C(=O)CCC2)C4=CC=CC(=C4)C(F)(F)F)N
ethyl2amino4(3hydroxy4methoxyphenyl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carboxylate
ethyl2amino4(3hydroxy4methoxyphenyl)5oxo1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carboxylate
InChI=1SC26H25F3N2O5c133625(34)2321(14101120(352)19(33)1214)2217(85918(22)32)31(24(23)30)1674615(1316)26(2728)29h46710132133H358930H212H3
MFCD01240367
ZINC000000714207
ZINC000000714208
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