Vitas-M small molecule compound

methyl N-{[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1(6H)-yl]acetyl}phenylalaninate

Catalog ID
STL156075
SMILES COC(=O)C(Cc1ccccc1)NC(=O)Cn1nc(ccc1=O)N1CCC(CC1)C

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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 C22H28N4O4 MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4/c1-16-10-12-25(13-11-16)19-8-9-21(28)26(24-19)15-20(27)23-18(22(29)30-2)14-17-6-4-3-5-7-17/h3-9,16,18H,10-15H2,1-2H3,(H,23,27)
InChIKey
BKMRITCDEUPSIN-UHFFFAOYSA-N
Synonyms
(S)methyl2(2(3(4methylpiperidin1yl)6oxopyridazin1(6H)yl)acetamido)3phenylpropanoate
CC1CCN(CC1)C2=NN(C(=O)C=C2)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC
COC(=O)(C@H)(Cc1ccccc1)NC(=O)Cn1nc(ccc1=O)N1CCC(CC1)C
methyl2((2(3(4methylpiperidin1yl)6oxopyridazin1yl)acetyl)amino)3phenylpropanoate
methylN((3(4methylpiperidin1yl)6oxopyridazin1(6H)yl)acetyl)phenylalaninate
Registry IDs
MFCD20757550
ZINC000061718592
ZINC000071328992

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Available files

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