Vitas-M small molecule compound

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

Catalog ID
STK363682
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)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 C20H22BrNO3 MW 404.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO3/c1-3-11-25-20(24)17-12(2)22-15-5-4-6-16(23)19(15)18(17)13-7-9-14(21)10-8-13/h7-10,18,22H,3-6,11H2,1-2H3
InChIKey
WFSCUWMFVZHRLB-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)Br)C(=O)CCC2)C
InChI=1SC20H22BrNO3c13112520(24)1712(2)221554616(23)19(15)18(17)137914(21)10813h7101822H3611H212H3
MFCD00771049
propyl4(4bromophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(4bromophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002063674
ZINC000002063675

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Available files

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