Vitas-M small molecule compound
propyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK062984
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1)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 C22H27NO3 MW 353.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO3/c1-5-11-26-21(25)18-14(2)23-16-12-22(3,4)13-17(24)20(16)19(18)15-9-7-6-8-10-15/h6-10,19,23H,5,11-13H2,1-4H3InChIKey
MXAJUUBHNJNLPU-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)CC(C2)(C)C)C
InChI=1SC22H27NO3c15112621(25)1814(2)23161222(34)1317(24)20(16)19(18)1597681015h6101923H51113H214H3
MFCD00770905
propyl277trimethyl5oxo4phenyl145678hexahydroquinoline3carboxylate
propyl277trimethyl5oxo4phenyl1468tetrahydroquinoline3carboxylate
STK062984
ZINC000002776330
ZINC000002776331
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