Vitas-M small molecule compound
methyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363139
SMILES COC(=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 C19H18BrNO5 MW 420.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrNO5/c1-9-16(19(23)24-2)17(18-12(21-9)4-3-5-13(18)22)10-6-14-15(7-11(10)20)26-8-25-14/h6-7,17,21H,3-5,8H2,1-2H3InChIKey
JYOFOWDIPSLXLQ-UHFFFAOYSA-NSynonyms
299407-34-4299407344
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OC
InChI=1SC19H18BrNO5c1916(19(23)242)17(1812(219)43513(18)22)1061415(711(10)20)2682514h671721H358H212H3
methyl4(6bromo13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(6bromo13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD00619475
ZINC000019314951
ZINC000019314954
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