Vitas-M small molecule compound
pentyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370768
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC)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/c1-6-7-8-13-30-24(28)21-16(2)26-19-14-25(3,4)15-20(27)23(19)22(21)17-9-11-18(29-5)12-10-17/h9-12,22,26H,6-8,13-15H2,1-5H3InChIKey
DGXXLLAHFJNUAY-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OC)C(=O)CC(C2)(C)C)C
InChI=1SC25H33NO4c1678133024(28)2116(2)26191425(34)1520(27)23(19)22(21)1791118(295)121017h9122226H681315H215H3
MFCD00334880
pentyl4(4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000003150532
ZINC000003150533
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