Vitas-M small molecule compound
methyl 5-[3-(5,7-dimethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)phenyl]-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
Catalog ID
STL423756
SMILES COC(=O)c1cn(cc2c1n[nH]c2=O)c1cccc(c1)C1N2CC3(CN1CC(C2)(C3=O)C)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 C24H25N5O4 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O4/c1-23-10-28-12-24(2,22(23)32)13-29(11-23)20(28)14-5-4-6-15(7-14)27-8-16-18(25-26-19(16)30)17(9-27)21(31)33-3/h4-9,20H,10-13H2,1-3H3,(H,26,30)InChIKey
SGDJZVXXYIPTNM-UHFFFAOYSA-NSynonyms
CC12CN3CC(C1=O)(CN(C2)C3C4=CC(=CC=C4)N5C=C6C(=NNC6=O)C(=C5)C(=O)OC)C
COC(=O)c1cn(cc2c1n(nH)c2=O)c1cccc(c1)C1N2CC3(CN1CC(C2)(C3=O)C)C
InChI=1SC24H25N5O4c12310281224(222(23)32)1329(1123)20(28)1454615(714)2781618(252619(16)30)17(927)21(31)333h4920H1013H213H3(H2630)
methyl5(3((1R3S5r7r)57dimethyl6oxo13diazaadamantan2yl)phenyl)3oxo35dihydro2Hpyrazolo(43c)pyridine7carboxylate
methyl5(3(57dimethyl6oxo13diazatricyclo(3311~37~)dec2yl)phenyl)3oxo35dihydro2Hpyrazolo(43c)pyridine7carboxylate
MFCD29057119
ZINC000252499840
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