Vitas-M small molecule compound
methyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372366
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-16-22(25(28)29-2)23(24-19(26-16)12-8-13-20(24)27)18-11-6-7-14-21(18)30-15-17-9-4-3-5-10-17/h3-7,9-11,14,23,26H,8,12-13,15H2,1-2H3InChIKey
NGXKMAGKQDPYPY-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OC
InChI=1SC25H25NO4c11622(25(28)292)23(2419(2616)1281320(24)27)1811671421(18)30151794351017h37911142326H8121315H212H3
methyl2methyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
methyl4(2(benzyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
MFCD00771018
ZINC000019818186
ZINC000019818188
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