Vitas-M small molecule compound
4-{[5-fluoro-3'-methyl-2,6'-dioxo-1'-(7H-purin-6-yl)-1',5',6',7'-tetrahydrospiro[indole-3,4'-pyrazolo[3,4-b]pyridin]-1(2H)-yl]methyl}benzonitrile
Catalog ID
STL493273
SMILES N#Cc1ccc(cc1)CN1c2ccc(cc2C2(C1=O)CC(=O)Nc1c2c(C)nn1c1ncnc2c1[nH]cn2)F
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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 C27H18FN9O2 MW 519.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18FN9O2/c1-14-21-24(37(35-14)25-22-23(31-12-30-22)32-13-33-25)34-20(38)9-27(21)18-8-17(28)6-7-19(18)36(26(27)39)11-16-4-2-15(10-29)3-5-16/h2-8,12-13H,9,11H2,1H3,(H,34,38)(H,30,31,32,33)InChIKey
PSLHZZVYXLCHEB-UHFFFAOYSA-NSynonyms
4((5fluoro3methyl26dioxo1(7Hpurin6yl)1567tetrahydrospiro(indole34pyrazolo(34b)pyridin)1(2H)yl)methyl)benzonitrile
4((5fluoro3methyl26dioxo1(9Hpurin6yl)1567tetrahydrospiro(indoline34pyrazolo(34b)pyridin)1yl)methyl)benzonitrile
MFCD30715681
N#Cc1ccc(cc1)CN1c2ccc(cc2C2(C1=O)CC(=O)Nc1c2c(C)nn1c1ncnc2c1(nH)cn2)F
N#Cc1ccc(cc1)CN1c2ccc(cc2C2(C1=O)CC(=O)Nc1c2c(C)nn1c1ncnc2c1nc(nH)2)F
ZINC000101411711
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