Vitas-M small molecule compound
butyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363194
SMILES CCCCOC(=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 C23H29NO5 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5/c1-4-6-12-29-23(27)20-14(3)24-16-8-7-9-18(26)22(16)21(20)15-10-11-17(25)19(13-15)28-5-2/h10-11,13,21,24-25H,4-9,12H2,1-3H3InChIKey
FFPCMEOOCWFFSS-UHFFFAOYSA-NSynonyms
butyl4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butyl4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OCC)C(=O)CCC2)C
InChI=1SC23H29NO5c146122923(27)2014(3)241687918(26)22(16)21(20)15101117(25)19(1315)2852h101113212425H4912H213H3
MFCD00717922
ZINC000002069394
ZINC000002069395
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