Vitas-M small molecule compound
ethyl 4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK047361
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)O)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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-6-28-21(26)18-12(2)23-14-10-22(3,4)11-16(25)20(14)19(18)13-7-8-15(24)17(9-13)27-5/h7-9,19,23-24H,6,10-11H2,1-5H3InChIKey
WWYLIGKOQMINEY-UHFFFAOYSA-NSynonyms
294198-05-3294198053
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OC)C(=O)CC(C2)(C)C)C
ethyl4(4hydroxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4hydroxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H27NO5c162821(26)1812(2)23141022(34)1116(25)20(14)19(18)137815(24)17(913)275h79192324H61011H215H3
MFCD00349372
STK047361
ZINC000000626924
ZINC000000626929
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