Vitas-M small molecule compound
4-(7-chloro-1,3-benzodioxol-5-yl)-6-hydroxy-1-(propan-2-yl)-1,2,4,5-tetrahydro-3H-pyrazolo[3,4-b]pyridin-3-one
Catalog ID
STL151938
SMILES OC1=Nc2c(C(C1)c1cc(Cl)c3c(c1)OCO3)c(=O)[nH]n2C(C)C
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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 C16H16ClN3O4 MW 349.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN3O4/c1-7(2)20-15-13(16(22)19-20)9(5-12(21)18-15)8-3-10(17)14-11(4-8)23-6-24-14/h3-4,7,9H,5-6H2,1-2H3,(H,18,21)(H,19,22)InChIKey
CWDVUVPUPDEPCJ-UHFFFAOYSA-NSynonyms
1310933-31-31310933313
4(7chloro13benzodioxol5yl)1propan2yl2457tetrahydropyrazolo(34b)pyridine36dione
4(7chloro13benzodioxol5yl)6hydroxy1(propan2yl)1245tetrahydro3Hpyrazolo(34b)pyridin3one
CC(C)N1C2=C(C(CC(=O)N2)C3=CC4=C(C(=C3)Cl)OCO4)C(=O)N1
InChI=1SC16H16ClN3O4c17(2)201513(16(22)1920)9(512(21)1815)8310(17)1411(48)2362414h3479H56H212H3(H1821)(H1922)
MFCD20756180
OC1=Nc2c(C(C1)c1cc(Cl)c3c(c1)OCO3)c(=O)(nH)n2C(C)C
ZINC000071281036
ZINC000071281038
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