Vitas-M small molecule compound
pentyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK078578
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)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/c1-6-7-8-13-29-24(28)21-17(3)26-19-14-25(4,5)15-20(27)23(19)22(21)18-11-9-16(2)10-12-18/h9-12,22,26H,6-8,13-15H2,1-5H3InChIKey
TZXXNLOXQXDXPM-UHFFFAOYSA-NSynonyms
296266-72-3296266723
CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)(C)C
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)CC(C2)(C)C)C
InChI=1SC25H33NO3c1678132924(28)2117(3)26191425(45)1520(27)23(19)22(21)1811916(2)101218h9122226H681315H215H3
MFCD00336088
pentyl277trimethyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
pentyl277trimethyl4(4methylphenyl)5oxo1468tetrahydroquinoline3carboxylate
STK078578
ZINC000002795937
ZINC000002795938
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