Vitas-M small molecule compound
pentyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372639
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)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 C24H31NO5 MW 413.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5/c1-4-6-7-13-30-24(28)21-15(3)25-17-9-8-10-19(27)23(17)22(21)16-11-12-18(26)20(14-16)29-5-2/h11-12,14,22,25-26H,4-10,13H2,1-3H3InChIKey
CTTMBVVVLCHXRD-UHFFFAOYSA-NSynonyms
299948-89-3299948893
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OCC)C(=O)CCC2)C
InChI=1SC24H31NO5c1467133024(28)2115(3)2517981019(27)23(17)22(21)16111218(26)20(1416)2952h111214222526H41013H213H3
MFCD00753378
pentyl4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002055473
ZINC000002055474
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