Vitas-M small molecule compound
4-({4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}methyl)benzonitrile
Catalog ID
STL492839
SMILES N#Cc1ccc(cc1)COc1ccc(cc1)C1CC(=O)Nc2c1c(C)nn2c1ncnc2c1[nH]cn2
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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 C26H20N8O2 MW 476.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N8O2/c1-15-22-20(18-6-8-19(9-7-18)36-12-17-4-2-16(11-27)3-5-17)10-21(35)32-25(22)34(33-15)26-23-24(29-13-28-23)30-14-31-26/h2-9,13-14,20H,10,12H2,1H3,(H,32,35)(H,28,29,30,31)InChIKey
ITCXZNPEUCSQEM-UHFFFAOYSA-NSynonyms
4((4(3methyl6oxo1(7Hpurin6yl)4567tetrahydro1Hpyrazolo(34b)pyridin4yl)phenoxy)methyl)benzonitrile
4((4(3methyl6oxo1(9Hpurin6yl)4567tetrahydro1Hpyrazolo(34b)pyridin4yl)phenoxy)methyl)benzonitrile
MFCD30715396
N#Cc1ccc(cc1)COc1ccc(cc1)C1CC(=O)Nc2c1c(C)nn2c1ncnc2c1(nH)cn2
N#Cc1ccc(cc1)COc1ccc(cc1)C1CC(=O)Nc2c1c(C)nn2c1ncnc2c1nc(nH)2
ZINC000524734211
ZINC000524734212
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