Vitas-M small molecule compound

methyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK372610
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-12-17(21(26)28-5)18(13-6-8-14(9-7-13)20(25)27-4)19-15(23-12)10-22(2,3)11-16(19)24/h6-9,18,23H,10-11H2,1-5H3
InChIKey
DGMQLSIARKYLNP-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)OC
InChI=1SC22H25NO5c11217(21(26)285)18(136814(9713)20(25)274)1915(2312)1022(23)1116(19)24h691823H1011H215H3
methyl4(4(methoxycarbonyl)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4methoxycarbonylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00717970
ZINC000017993777
ZINC000018207630

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.