Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370759
SMILES CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
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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 C29H33NO4 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO4/c1-5-15-33-22-13-11-21(12-14-22)26-25(28(32)34-18-20-9-7-6-8-10-20)19(2)30-23-16-29(3,4)17-24(31)27(23)26/h6-14,26,30H,5,15-18H2,1-4H3InChIKey
HTCKHLQCDOAEHC-UHFFFAOYSA-NSynonyms
benzyl277trimethyl5oxo4(4propoxyphenyl)145678hexahydroquinoline3carboxylate
benzyl277trimethyl5oxo4(4propoxyphenyl)1468tetrahydroquinoline3carboxylate
CCCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC29H33NO4c15153322131121(121422)2625(28(32)34182097681020)19(2)30231629(34)1724(31)27(23)26h6142630H51518H214H3
MFCD00315334
ZINC000004059635
ZINC000004059638
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