Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402690
SMILES CC(OCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2)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 C23H26BrNO6 MW 492.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26BrNO6/c1-12(2)28-7-8-29-23(27)20-13(3)25-16-5-4-6-17(26)22(16)21(20)14-9-18-19(10-15(14)24)31-11-30-18/h9-10,12,21,25H,4-8,11H2,1-3H3InChIKey
FGMFUFDEIJVNJL-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl4(6bromo13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
2propan2yloxyethyl4(6bromo13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Br)OCO4)C(=O)OCCOC(C)C
InChI=1SC23H26BrNO6c112(2)28782923(27)2013(3)251654617(26)22(16)21(20)1491819(1015(14)24)31113018h910122125H4811H213H3
MFCD02104467
ZINC000100097486
ZINC000100097489
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