Vitas-M small molecule compound
2-methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372399
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2
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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 C21H22BrNO6 MW 464.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO6/c1-11-18(21(25)27-7-6-26-2)19(20-14(23-11)4-3-5-15(20)24)12-8-16-17(9-13(12)22)29-10-28-16/h8-9,19,23H,3-7,10H2,1-2H3InChIKey
AQIXWWDWJXGUMS-UHFFFAOYSA-NSynonyms
2methoxyethyl4(6bromo13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(6bromo13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCCOC
InChI=1SC21H22BrNO6c11118(21(25)2776262)19(2014(2311)43515(20)24)1281617(913(12)22)29102816h891923H3710H212H3
MFCD00771123
ZINC000100492114
ZINC000100492116
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