Vitas-M small molecule compound
ethyl 2,7,7-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371930
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC(C)C)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 C24H31NO4 MW 397.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO4/c1-7-28-23(27)20-15(4)25-17-12-24(5,6)13-18(26)22(17)21(20)16-10-8-9-11-19(16)29-14(2)3/h8-11,14,21,25H,7,12-13H2,1-6H3InChIKey
NGMPDSNYYFJLLQ-UHFFFAOYSA-NSynonyms
313967-29-2313967292
CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OC(C)C)C(=O)CC(C2)(C)C)C
ethyl277trimethyl5oxo4(2(propan2yloxy)phenyl)145678hexahydroquinoline3carboxylate
ethyl277trimethyl5oxo4(2propan2yloxyphenyl)1468tetrahydroquinoline3carboxylate
InChI=1SC24H31NO4c172823(27)2015(4)25171224(56)1318(26)22(17)21(20)1610891119(16)2914(2)3h811142125H71213H216H3
MFCD00619625
ZINC000000674464
ZINC000000674467
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