Vitas-M small molecule compound
pentyl 4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372607
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC)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/c1-6-7-10-13-30-24(28)21-16(2)26-18-14-25(3,4)15-19(27)23(18)22(21)17-11-8-9-12-20(17)29-5/h8-9,11-12,22,26H,6-7,10,13-15H2,1-5H3InChIKey
NSDMOOBYHONPLO-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OC)C(=O)CC(C2)(C)C)C
InChI=1SC25H33NO4c16710133024(28)2116(2)26181425(34)1519(27)23(18)22(21)1711891220(17)295h8911122226H67101315H215H3
MFCD00753267
pentyl4(2methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(2methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002055379
ZINC000002055380
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