Vitas-M small molecule compound

butyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK067734
SMILES CCCCOC(=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 C22H24BrNO5 MW 462.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrNO5/c1-3-4-8-27-22(26)19-12(2)24-15-6-5-7-16(25)21(15)20(19)13-9-17-18(10-14(13)23)29-11-28-17/h9-10,20,24H,3-8,11H2,1-2H3
InChIKey
RBTSFRJONFAPCN-UHFFFAOYSA-N
Synonyms

butyl4(6bromo13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
butyl4(6bromo13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2
CCCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CCC2)C
InChI=1SC22H24BrNO5c13482722(26)1912(2)241565716(25)21(15)20(19)1391718(1014(13)23)29112817h9102024H3811H212H3
MFCD00771091
STK067734
ZINC000002800965
ZINC000002800966

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Available files

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