Vitas-M small molecule compound
4-{4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1-(propan-2-yl)-1H-[1]benzofuro[3,2-b]pyrazolo[4,3-e]pyridine-3,6,7-triol
Catalog ID
STL522298
SMILES CC(=C)COc1ccc(cc1)c1c2oc3c(c2nc2c1c(O)nn2C(C)C)ccc(c3O)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 C25H23N3O5 MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5/c1-12(2)11-32-15-7-5-14(6-8-15)18-19-24(28(13(3)4)27-25(19)31)26-20-16-9-10-17(29)21(30)22(16)33-23(18)20/h5-10,13,29-30H,1,11H2,2-4H3,(H,27,31)InChIKey
LKRCLRWRIKGYHO-UHFFFAOYSA-NSynonyms
4(4((2methylprop2en1yl)oxy)phenyl)1(propan2yl)1H(1)benzofuro(32b)pyrazolo(43e)pyridine367triol
InChI=1SC25H23N3O5c112(2)1132157514(6815)181924(28(13(3)4)2725(19)31)26201691017(29)21(30)22(16)3323(18)20h510132930H111H224H3(H2731)
MFCD31752537
ZINC000096115510
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