Vitas-M small molecule compound
methyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK043307
SMILES CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)C(=O)OC
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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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-5-14-34-22-12-8-19(9-13-22)26-25(28(31)33-4)17(2)29-23-15-20(16-24(30)27(23)26)18-6-10-21(32-3)11-7-18/h6-13,20,26,29H,5,14-16H2,1-4H3InChIKey
CKBGUPVTOQBLEU-UHFFFAOYSA-NSynonyms
CCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC)C
CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)OC)C(=O)OC
InChI=1SC28H31NO5c1514342212819(91322)2625(28(31)334)17(2)29231520(1624(30)27(23)26)1861021(323)11718h613202629H51416H214H3
methyl7(4methoxyphenyl)2methyl5oxo4(4propoxyphenyl)145678hexahydroquinoline3carboxylate
methyl7(4methoxyphenyl)2methyl5oxo4(4propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD01445663
STK043307
ZINC000008780556
ZINC000008780559
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