Vitas-M small molecule compound
ethyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372492
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)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 C23H27NO5 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5/c1-6-29-22(27)18-13(2)24-16-11-23(3,4)12-17(25)20(16)19(18)14-7-9-15(10-8-14)21(26)28-5/h7-10,19,24H,6,11-12H2,1-5H3InChIKey
MTJXLPQKIVWXLG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)(C)C)C
ethyl4(4(methoxycarbonyl)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4methoxycarbonylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC23H27NO5c162922(27)1813(2)24161123(34)1217(25)20(16)19(18)147915(10814)21(26)285h7101924H61112H215H3
MFCD00717891
ZINC000000677293
ZINC000000753383
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