Vitas-M small molecule compound
methyl 4-(1-cycloheptyl-6-hydroxy-3-oxo-2,3,4,5-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoate
Catalog ID
STL159575
SMILES COC(=O)c1ccc(cc1)C1CC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)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 C21H25N3O4 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4/c1-28-21(27)14-10-8-13(9-11-14)16-12-17(25)22-19-18(16)20(26)23-24(19)15-6-4-2-3-5-7-15/h8-11,15-16H,2-7,12H2,1H3,(H,22,25)(H,23,26)InChIKey
LPVPOSIPSIMWBR-UHFFFAOYSA-NSynonyms
1310941-34-41310941344
COC(=O)C1=CC=C(C=C1)C2CC(=O)NC3=C2C(=O)NN3C4CCCCCC4
COC(=O)c1ccc(cc1)C1CC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)O
InChI=1SC21H25N3O4c12821(27)1410813(91114)161217(25)221918(16)20(26)2324(19)1564235715h8111516H2712H21H3(H2225)(H2326)
methyl4(1cycloheptyl36dioxo2457tetrahydropyrazolo(34b)pyridin4yl)benzoate
methyl4(1cycloheptyl6hydroxy3oxo2345tetrahydro1Hpyrazolo(34b)pyridin4yl)benzoate
MFCD20758733
ZINC000071279431
ZINC000071279432
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