Vitas-M small molecule compound
butyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK368892
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)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 C25H33NO4 MW 411.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO4/c1-6-8-13-30-24(28)21-16(3)26-18-14-25(4,5)15-19(27)23(18)22(21)17-11-9-10-12-20(17)29-7-2/h9-12,22,26H,6-8,13-15H2,1-5H3InChIKey
MLMGHCBKCISDEJ-UHFFFAOYSA-NSynonyms
butyl4(2ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(2ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC)C(=O)CC(C2)(C)C)C
InChI=1SC25H33NO4c168133024(28)2116(3)26181425(45)1519(27)23(18)22(21)17119101220(17)2972h9122226H681315H215H3
MFCD00339523
ZINC000003158309
ZINC000003158310
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