Vitas-M small molecule compound
butyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407213
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)O)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 C25H33NO5 MW 427.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33NO5/c1-6-8-11-31-24(29)21-15(3)26-17-13-25(4,5)14-19(28)23(17)22(21)16-9-10-18(27)20(12-16)30-7-2/h9-10,12,22,26-27H,6-8,11,13-14H2,1-5H3InChIKey
OYDPWJDYNZRTRL-UHFFFAOYSA-NSynonyms
299946-32-0299946320
butyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(3ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)O)OCC)C(=O)CC(C2)(C)C)C
InChI=1SC25H33NO5c168113124(29)2115(3)26171325(45)1419(28)23(17)22(21)1691018(27)20(1216)3072h91012222627H68111314H215H3
MFCD00753002
ZINC000002055137
ZINC000002055138
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Check stock on Vitas-MAvailable files
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