Vitas-M small molecule compound
1-cyclooctyl-6-hydroxy-4-(3-methoxyphenyl)-1,2,4,5-tetrahydro-3H-pyrazolo[3,4-b]pyridin-3-one
Catalog ID
STL153294
SMILES COc1cccc(c1)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 C21H27N3O3 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3/c1-27-16-11-7-8-14(12-16)17-13-18(25)22-20-19(17)21(26)23-24(20)15-9-5-3-2-4-6-10-15/h7-8,11-12,15,17H,2-6,9-10,13H2,1H3,(H,22,25)(H,23,26)InChIKey
IFJSSWAPWWKJTI-UHFFFAOYSA-NSynonyms
1310939-00-41310939004
1cyclooctyl4(3methoxyphenyl)2457tetrahydropyrazolo(34b)pyridine36dione
1cyclooctyl6hydroxy4(3methoxyphenyl)1245tetrahydro3Hpyrazolo(34b)pyridin3one
COC1=CC=CC(=C1)C2CC(=O)NC3=C2C(=O)NN3C4CCCCCCC4
COc1cccc(c1)C1CC(=Nc2c1c(=O)(nH)n2C1CCCCCCC1)O
InChI=1SC21H27N3O3c12716117814(1216)171318(25)222019(17)21(26)2324(20)159532461015h7811121517H2691013H21H3(H2225)(H2326)
MFCD20756635
ZINC000071280819
ZINC000071280821
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