Vitas-M small molecule compound
ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371642
SMILES CCOC(=O)C1=C(CC)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 C21H22BrNO5 MW 448.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO5/c1-3-13-20(21(25)26-4-2)18(19-14(23-13)6-5-7-15(19)24)11-8-16-17(9-12(11)22)28-10-27-16/h8-9,18,23H,3-7,10H2,1-2H3InChIKey
IIAMQFIIWCYEIO-UHFFFAOYSA-NSynonyms
CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCC
ethyl4(6bromo13benzodioxol5yl)2ethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(6bromo13benzodioxol5yl)2ethyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC21H22BrNO5c131320(21(25)2642)18(1914(2313)65715(19)24)1181617(912(11)22)28102716h891823H3710H212H3
MFCD00344270
ZINC000019314794
ZINC000019314797
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