Vitas-M small molecule compound
pentyl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372571
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC)C(=O)CCC2
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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 C25H33NO5 MW 427.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO5/c1-5-7-8-14-31-25(28)22-16(3)26-18-10-9-11-19(27)24(18)23(22)17-12-13-20(30-6-2)21(15-17)29-4/h12-13,15,23,26H,5-11,14H2,1-4H3InChIKey
NXTOWGKAEVAEDV-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC)OC)C(=O)CCC2)C
InChI=1SC25H33NO5c1578143125(28)2216(3)26181091119(27)24(18)23(22)17121320(3062)21(1517)294h1213152326H51114H214H3
MFCD00753168
pentyl4(4ethoxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(4ethoxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002055275
ZINC000002055276
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