Vitas-M small molecule compound

N-(4-bromobenzyl)-3-[3-(4-ethylphenyl)-6-oxopyridazin-1(6H)-yl]propanamide

Catalog ID
STL126658
SMILES CCc1ccc(cc1)c1ccc(=O)n(n1)CCC(=O)NCc1ccc(cc1)Br

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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 C22H22BrN3O2 MW 440.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrN3O2/c1-2-16-3-7-18(8-4-16)20-11-12-22(28)26(25-20)14-13-21(27)24-15-17-5-9-19(23)10-6-17/h3-12H,2,13-15H2,1H3,(H,24,27)
InChIKey
KAWPHXINUKRIRI-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)NCC3=CC=C(C=C3)Br
InChI=1SC22H22BrN3O2c12163718(8416)20111222(28)26(2520)141321(27)2415175919(23)10617h312H21315H21H3(H2427)
MFCD20739334
N((4bromophenyl)methyl)3(3(4ethylphenyl)6oxopyridazin1yl)propanamide
N(4bromobenzyl)3(3(4ethylphenyl)6oxopyridazin1(6H)yl)propanamide
ZINC000041253986
ZINC41253986

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Available files

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