Vitas-M small molecule compound

4-[({[3-(4-methoxyphenyl)-6-oxopyridazin-1(6H)-yl]acetyl}amino)methyl]cyclohexanecarboxylic acid

Catalog ID
STL159749
SMILES COc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)NCC1CCC(CC1)C(=O)O

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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 C21H25N3O5 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5/c1-29-17-8-6-15(7-9-17)18-10-11-20(26)24(23-18)13-19(25)22-12-14-2-4-16(5-3-14)21(27)28/h6-11,14,16H,2-5,12-13H2,1H3,(H,22,25)(H,27,28)
InChIKey
MGWNCCJRERCJQI-UHFFFAOYSA-N
Synonyms
1246054-45-4
(1r4r)4((2(3(4methoxyphenyl)6oxopyridazin1(6H)yl)acetamido)methyl)cyclohexanecarboxylicacid
1246054454
4((((3(4methoxyphenyl)6oxopyridazin1(6H)yl)acetyl)amino)methyl)cyclohexanecarboxylicacid
4(((2(3(4methoxyphenyl)6oxopyridazin1yl)acetyl)amino)methyl)cyclohexane1carboxylicacid
COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NCC3CCC(CC3)C(=O)O
COc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)O
InChI=1SC21H25N3O5c129178615(7917)18101120(26)24(2318)1319(25)2212142416(5314)21(27)28h6111416H251213H21H3(H2225)(H2728)
MFCD20503550
ZINC000049544152
ZINC101674984
ZINC49544152

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Available files

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