Vitas-M small molecule compound

methyl N-{[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alaninate

Catalog ID
STL157319
SMILES COC(=O)CCNC(=O)Cn1nc(ccc1=O)c1ccc(cc1)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 C17H19N3O5 MW 345.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O5/c1-24-13-5-3-12(4-6-13)14-7-8-16(22)20(19-14)11-15(21)18-10-9-17(23)25-2/h3-8H,9-11H2,1-2H3,(H,18,21)
InChIKey
BQTFVZGEMFWVHP-UHFFFAOYSA-N
Synonyms
1246052-65-2
1246052652
COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCCC(=O)OC
InChI=1SC17H19N3O5c124135312(4613)147816(22)20(1914)1115(21)1810917(23)252h38H911H212H3(H1821)
methyl3((2(3(4methoxyphenyl)6oxopyridazin1yl)acetyl)amino)propanoate
methyl3(2(3(4methoxyphenyl)6oxopyridazin1(6H)yl)acetamido)propanoate
methylN((3(4methoxyphenyl)6oxopyridazin1(6H)yl)acetyl)betaalaninate
MFCD18067389
ZINC000049546743
ZINC49546743

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Available files

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