Vitas-M small molecule compound
4-[3-methyl-6-oxo-1-(7H-purin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl 4-fluorobenzoate
Catalog ID
STL492942
SMILES O=C1CC(c2ccc(cc2)OC(=O)c2ccc(cc2)F)c2c(N1)n(nc2C)c1ncnc2c1[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 C25H18FN7O3 MW 483.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18FN7O3/c1-13-20-18(14-4-8-17(9-5-14)36-25(35)15-2-6-16(26)7-3-15)10-19(34)31-23(20)33(32-13)24-21-22(28-11-27-21)29-12-30-24/h2-9,11-12,18H,10H2,1H3,(H,31,34)(H,27,28,29,30)InChIKey
IXMPBTYRXSBIJD-UHFFFAOYSA-NSynonyms
4(3methyl6oxo1(7Hpurin6yl)4567tetrahydro1Hpyrazolo(34b)pyridin4yl)phenyl4fluorobenzoate
4(3methyl6oxo1(9Hpurin6yl)4567tetrahydro1Hpyrazolo(34b)pyridin4yl)phenyl4fluorobenzoate
MFCD30715457
O=C1CC(c2ccc(cc2)OC(=O)c2ccc(cc2)F)c2c(N1)n(nc2C)c1ncnc2c1(nH)cn2
O=C1CC(c2ccc(cc2)OC(=O)c2ccc(cc2)F)c2c(N1)n(nc2C)c1ncnc2c1nc(nH)2
ZINC000524734735
ZINC000524734736
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