Vitas-M small molecule compound
ethyl 4-(3,5-dibromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371795
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)cc(c1O)Br)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 C21H23Br2NO4 MW 513.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23Br2NO4/c1-5-28-20(27)16-10(2)24-14-8-21(3,4)9-15(25)18(14)17(16)12-6-11(22)7-13(23)19(12)26/h6-7,17,24,26H,5,8-9H2,1-4H3InChIKey
ZVQQIDDRYJSCMJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC(=C3O)Br)Br)C(=O)CC(C2)(C)C)C
ethyl4(35dibromo2hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(35dibromo2hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC21H23Br2NO4c152820(27)1610(2)2414821(34)915(25)18(14)17(16)12611(22)713(23)19(12)26h67172426H589H214H3
MFCD00512821
ZINC000019201983
ZINC000019201987
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