Vitas-M small molecule compound
1-cyclooctyl-6-hydroxy-4-[4-(methylsulfonyl)phenyl]-1,2,4,5-tetrahydro-3H-pyrazolo[3,4-b]pyridin-3-one
Catalog ID
STL158238
SMILES OC1=Nc2c(C(C1)c1ccc(cc1)S(=O)(=O)C)c(=O)[nH]n2C1CCCCCCC1
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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 C21H27N3O4S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4S/c1-29(27,28)16-11-9-14(10-12-16)17-13-18(25)22-20-19(17)21(26)23-24(20)15-7-5-3-2-4-6-8-15/h9-12,15,17H,2-8,13H2,1H3,(H,22,25)(H,23,26)InChIKey
YLQYUSPCFYGFHR-UHFFFAOYSA-NSynonyms
1324092-27-41324092274
1cyclooctyl4(4methylsulfonylphenyl)2457tetrahydropyrazolo(34b)pyridine36dione
1cyclooctyl6hydroxy4(4(methylsulfonyl)phenyl)1245tetrahydro3Hpyrazolo(34b)pyridin3one
CS(=O)(=O)C1=CC=C(C=C1)C2CC(=O)NC3=C2C(=O)NN3C4CCCCCCC4
InChI=1SC21H27N3O4Sc129(2728)1611914(101216)171318(25)222019(17)21(26)2324(20)15753246815h9121517H2813H21H3(H2225)(H2326)
MFCD20758276
OC1=Nc2c(C(C1)c1ccc(cc1)S(=O)(=O)C)c(=O)(nH)n2C1CCCCCCC1
ZINC000071283945
ZINC000071283946
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