Vitas-M small molecule compound

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

Catalog ID
STK034675
SMILES CCCOC(=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 C21H22BrNO5 MW 448.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO5/c1-3-7-26-21(25)18-11(2)23-14-5-4-6-15(24)20(14)19(18)12-8-16-17(9-13(12)22)28-10-27-16/h8-9,19,23H,3-7,10H2,1-2H3
InChIKey
FVFVTEBSTJXBQL-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2
CCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CCC2)C
InChI=1SC21H22BrNO5c1372621(25)1811(2)231454615(24)20(14)19(18)1281617(913(12)22)28102716h891923H3710H212H3
MFCD00771059
propyl4(6bromo13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(6bromo13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK034675
ZINC000002776431
ZINC000002776432

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.