Vitas-M small molecule compound
prop-2-en-1-yl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372616
SMILES CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC=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 C26H33NO4 MW 423.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO4/c1-6-8-14-30-21-12-10-9-11-18(21)23-22(25(29)31-13-7-2)17(3)27-19-15-26(4,5)16-20(28)24(19)23/h7,9-12,23,27H,2,6,8,13-16H2,1,3-5H3InChIKey
ODBHYQUSXJKAIX-UHFFFAOYSA-NSynonyms
CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC=C)C
InChI=1SC26H33NO4c168143021121091118(21)2322(25(29)311372)17(3)27191526(45)1620(28)24(19)23h79122327H2681316H2135H3
MFCD00717978
prop2en1yl4(2butoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(2butoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000004066486
ZINC000004066489
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