Vitas-M small molecule compound

cyclohexyl 7-(4-chlorophenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK085922
SMILES COc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCCC1

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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 C30H32ClNO4 MW 506.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClNO4/c1-18-27(30(34)36-22-8-4-3-5-9-22)28(23-10-6-7-11-26(23)35-2)29-24(32-18)16-20(17-25(29)33)19-12-14-21(31)15-13-19/h6-7,10-15,20,22,28,32H,3-5,8-9,16-17H2,1-2H3
InChIKey
HDNIWHVYPINMOG-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C(=O)OC5CCCCC5
COc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCCC1
cyclohexyl7(4chlorophenyl)4(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl7(4chlorophenyl)4(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32ClNO4c11827(30(34)36228435922)28(2310671126(23)352)2924(3218)1620(1725(29)33)19121421(31)151319h67101520222832H35891617H212H3
MFCD01590134
STK085922
ZINC000002757441
ZINC000002757444

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Available files

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