Vitas-M small molecule compound
3-{5-chloro-6-oxo-4-[(2-phenylethyl)amino]pyridazin-1(6H)-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid
Catalog ID
STK596408
SMILES OC(=O)C12CC3CC(C1)CC(C2)(C3)n1ncc(c(c1=O)Cl)NCCc1ccccc1
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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 C23H26ClN3O3 MW 427.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN3O3/c24-19-18(25-7-6-15-4-2-1-3-5-15)13-26-27(20(19)28)23-11-16-8-17(12-23)10-22(9-16,14-23)21(29)30/h1-5,13,16-17,25H,6-12,14H2,(H,29,30)InChIKey
SQNYUQZVNJIZKC-UHFFFAOYSA-NSynonyms
900265-76-1(1r3s5R7S)3(5chloro6oxo4(phenethylamino)pyridazin1(6H)yl)adamantane1carboxylicacid
3(5chloro6oxo4((2phenylethyl)amino)pyridazin1(6H)yl)tricyclo(3311~37~)decane1carboxylicacid
3(5chloro6oxo4(2phenylethylamino)pyridazin1yl)adamantane1carboxylicacid
3(5CHLORO6OXO4(PHENETHYLAMINO)PYRIDAZIN1YL)ADAMANTANE1CARBOXYLICACID
900265761
C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)NCCC5=CC=CC=C5)Cl)C(=O)O
InChI=1SC23H26ClN3O3c241918(2576154213515)132627(20(19)28)231116817(1223)1022(9161423)21(29)30h1513161725H61214H2(H2930)
MFCD06611769
ZINC000002354719
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