Vitas-M small molecule compound

methyl 4-({[1-(4-methoxyphenyl)-4-oxo-1,4-dihydropyridazin-3-yl]carbonyl}amino)benzoate

Catalog ID
STK517097
SMILES COc1ccc(cc1)n1ccc(=O)c(n1)C(=O)Nc1ccc(cc1)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 C20H17N3O5 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5/c1-27-16-9-7-15(8-10-16)23-12-11-17(24)18(22-23)19(25)21-14-5-3-13(4-6-14)20(26)28-2/h3-12H,1-2H3,(H,21,25)
InChIKey
PPSRRXQAGCSSQR-UHFFFAOYSA-N
Synonyms
898513-68-3
898513683
COC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC20H17N3O5c127169715(81016)23121117(24)18(2223)19(25)21145313(4614)20(26)282h312H12H3(H2125)
methyl4(((1(4methoxyphenyl)4oxo14dihydropyridazin3yl)carbonyl)amino)benzoate
METHYL4((1(4METHOXYPHENYL)4OXOPYRIDAZINE3CARBONYL)AMINO)BENZOATE
methyl4(1(4methoxyphenyl)4oxo14dihydropyridazine3carboxamido)benzoate
MFCD07641388
ZINC000005451996
ZINC05451996
ZINC5451996

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Available files

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