Vitas-M small molecule compound
ethyl 4-{3-methoxy-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK724488
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC(=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 C26H33NO5 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5/c1-8-31-25(29)22-16(4)27-18-12-26(5,6)13-19(28)24(18)23(22)17-9-10-20(21(11-17)30-7)32-14-15(2)3/h9-11,23,27H,2,8,12-14H2,1,3-7H3InChIKey
IEKZDSRRHKNUCX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC(=C)C)OC)C(=O)CC(C2)(C)C)C
ethyl4(3methoxy4((2methylprop2en1yl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3methoxy4(2methylprop2enoxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC26H33NO5c183125(29)2216(4)27181226(56)1319(28)24(18)23(22)1791020(21(1117)307)321415(2)3h9112327H281214H2137H3
MFCD04215112
ZINC000000804405
ZINC000000804407
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Check stock on Vitas-MAvailable files
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