Vitas-M small molecule compound
6-methyl 3-propyl 2,7-dimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404882
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Oc1ccccc1)C(=O)C(C(C2)C)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 C29H31NO6 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6/c1-5-14-35-29(33)24-18(3)30-22-15-17(2)23(28(32)34-4)27(31)26(22)25(24)19-10-9-13-21(16-19)36-20-11-7-6-8-12-20/h6-13,16-17,23,25,30H,5,14-15H2,1-4H3InChIKey
LTHNVTNWGAVCSG-UHFFFAOYSA-NSynonyms
6methyl3propyl27dimethyl5oxo4(3phenoxyphenyl)145678hexahydroquinoline36dicarboxylate
6Omethyl3Opropyl27dimethyl5oxo4(3phenoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC29H31NO6c15143529(33)2418(3)30221517(2)23(28(32)344)27(31)26(22)25(24)191091321(1619)3620117681220h6131617232530H51415H214H3
MFCD06194034
ZINC000020561876
ZINC000033834369
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