Vitas-M small molecule compound
ethyl 4-(3,5-dibromo-2-hydroxyphenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK368868
SMILES CCOC(=O)C1=C(CC)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 C22H25Br2NO4 MW 527.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25Br2NO4/c1-5-14-19(21(28)29-6-2)17(12-7-11(23)8-13(24)20(12)27)18-15(25-14)9-22(3,4)10-16(18)26/h7-8,17,25,27H,5-6,9-10H2,1-4H3InChIKey
CXZXASQSKSMJKL-UHFFFAOYSA-NSynonyms
CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC(=C3O)Br)Br)C(=O)OCC
ethyl4(35dibromo2hydroxyphenyl)2ethyl77dimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(35dibromo2hydroxyphenyl)2ethyl77dimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H25Br2NO4c151419(21(28)2962)17(12711(23)813(24)20(12)27)1815(2514)922(34)1016(18)26h78172527H56910H214H3
MFCD00339519
ZINC000100486826
ZINC000100486830
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