Vitas-M small molecule compound
butyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372597
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)CC)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 C25H33NO3 MW 395.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO3/c1-6-8-13-29-24(28)21-16(3)26-19-14-25(4,5)15-20(27)23(19)22(21)18-11-9-17(7-2)10-12-18/h9-12,22,26H,6-8,13-15H2,1-5H3InChIKey
HELHPUJNDFALCL-UHFFFAOYSA-NSynonyms
butyl4(4ethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(4ethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)CC)C(=O)CC(C2)(C)C)C
InChI=1SC25H33NO3c168132924(28)2116(3)26191425(45)1520(27)23(19)22(21)1811917(72)101218h9122226H681315H215H3
MFCD00753235
ZINC000003094422
ZINC000003094423
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