Vitas-M small molecule compound
3-(2-ethoxyethyl) 6-methyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK405245
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)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 C25H31NO6 MW 441.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO6/c1-6-31-11-12-32-25(29)20-16(4)26-18-13-15(3)19(24(28)30-5)23(27)22(18)21(20)17-9-7-14(2)8-10-17/h7-10,15,19,21,26H,6,11-13H2,1-5H3InChIKey
XIUBFOXEKKWPSD-UHFFFAOYSA-NSynonyms
3(2ethoxyethyl)6methyl27dimethyl4(4methylphenyl)5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethoxyethyl)6Omethyl27dimethyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC25H31NO6c163111123225(29)2016(4)26181315(3)19(24(28)305)23(27)22(18)21(20)179714(2)81017h71015192126H61113H215H3
MFCD06651872
ZINC000019634008
ZINC000033834305
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