Vitas-M small molecule compound

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

Catalog ID
STK756520
SMILES COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1)Br)C(=O)OC

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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 C24H23BrN2O4 MW 483.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23BrN2O4/c1-30-17-12-6-14(7-13-17)20-21-18(4-3-5-19(21)28)27(16-10-8-15(25)9-11-16)23(26)22(20)24(29)31-2/h6-13,20H,3-5,26H2,1-2H3
InChIKey
SNWYIMYRWGDBPD-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)C2C3=C(CCCC3=O)N(C(=C2C(=O)OC)N)C4=CC=C(C=C4)Br
InChI=1SC24H23BrN2O4c1301712614(71317)202118(43519(21)28)27(1610815(25)91116)23(26)22(20)24(29)312h61320H3526H212H3
methyl2amino1(4bromophenyl)4(4methoxyphenyl)5oxo145678hexahydroquinoline3carboxylate
methyl2amino1(4bromophenyl)4(4methoxyphenyl)5oxo4678tetrahydroquinoline3carboxylate
MFCD01239694
ZINC000001445531
ZINC000001445532

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Available files

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