Vitas-M small molecule compound

4-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-hydroxy-1-(propan-2-yl)-1,2,4,5-tetrahydro-3H-pyrazolo[3,4-b]pyridin-3-one

Catalog ID
STL160044
SMILES Brc1cc(c2c(c1)COCO2)C1CC(=Nc2c1c(=O)[nH]n2C(C)C)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 C17H18BrN3O4 MW 408.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18BrN3O4/c1-8(2)21-16-14(17(23)20-21)11(5-13(22)19-16)12-4-10(18)3-9-6-24-7-25-15(9)12/h3-4,8,11H,5-7H2,1-2H3,(H,19,22)(H,20,23)
InChIKey
XPQJDLPOADBTNP-UHFFFAOYSA-N
Synonyms
1310940-49-8
1310940498
4(6bromo4H13benzodioxin8yl)1propan2yl2457tetrahydropyrazolo(34b)pyridine36dione
4(6bromo4H13benzodioxin8yl)6hydroxy1(propan2yl)1245tetrahydro3Hpyrazolo(34b)pyridin3one
Brc1cc(c2c(c1)COCO2)C1CC(=Nc2c1c(=O)(nH)n2C(C)C)O
CC(C)N1C2=C(C(CC(=O)N2)C3=C4C(=CC(=C3)Br)COCO4)C(=O)N1
InChI=1SC17H18BrN3O4c18(2)211614(17(23)2021)11(513(22)1916)12410(18)3962472515(9)12h34811H57H212H3(H1922)(H2023)
MFCD20758883
ZINC000071283082
ZINC000071283083

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Available files

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