Vitas-M small molecule compound
4-(1-cyclooctyl-6-hydroxy-3-oxo-2,3,4,5-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl)benzoic acid
Catalog ID
STL155958
SMILES OC(=O)c1ccc(cc1)C1CC(=Nc2c1c(=O)[nH]n2C1CCCCCCC1)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/c25-17-12-16(13-8-10-14(11-9-13)21(27)28)18-19(22-17)24(23-20(18)26)15-6-4-2-1-3-5-7-15/h8-11,15-16H,1-7,12H2,(H,22,25)(H,23,26)(H,27,28)InChIKey
XIZJOXKYYZSLAD-UHFFFAOYSA-NSynonyms
1310941-35-51310941355
4(1cyclooctyl36dioxo2457tetrahydropyrazolo(34b)pyridin4yl)benzoicacid
4(1cyclooctyl6hydroxy3oxo2345tetrahydro1Hpyrazolo(34b)pyridin4yl)benzoicacid
C1CCCC(CCC1)N2C3=C(C(CC(=O)N3)C4=CC=C(C=C4)C(=O)O)C(=O)N2
InChI=1SC21H25N3O4c25171216(1381014(11913)21(27)28)1819(2217)24(2320(18)26)15642135715h8111516H1712H2(H2225)(H2326)(H2728)
MFCD20757501
OC(=O)c1ccc(cc1)C1CC(=Nc2c1c(=O)(nH)n2C1CCCCCCC1)O
ZINC000071281897
ZINC000071281898
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