Vitas-M small molecule compound
5-fluoro-3'-methyl-1-[(2E)-3-phenylprop-2-en-1-yl]-1'-(7H-purin-6-yl)-1',7'-dihydrospiro[indole-3,4'-pyrazolo[3,4-b]pyridine]-2,6'(1H,5'H)-dione
Catalog ID
STL493145
SMILES O=C1Nc2n(nc(c2C2(C1)c1cc(F)ccc1N(C2=O)C/C=C/c1ccccc1)C)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 C28H21FN8O2 MW 520.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN8O2/c1-16-22-25(37(35-16)26-23-24(31-14-30-23)32-15-33-26)34-21(38)13-28(22)19-12-18(29)9-10-20(19)36(27(28)39)11-5-8-17-6-3-2-4-7-17/h2-10,12,14-15H,11,13H2,1H3,(H,34,38)(H,30,31,32,33)/b8-5+InChIKey
SJLCZSIQSIXFKR-VMPITWQZSA-NSynonyms
1cinnamyl5fluoro3methyl1(9Hpurin6yl)57dihydrospiro(indoline34pyrazolo(34b)pyridine)26(1H)dione
5fluoro3methyl1((2E)3phenylprop2en1yl)1(7Hpurin6yl)17dihydrospiro(indole34pyrazolo(34b)pyridine)26(1H5H)dione
MFCD30715593
O=C1Nc2n(nc(c2C2(C1)c1cc(F)ccc1N(C2=O)CC=Cc1ccccc1)C)c1ncnc2c1(nH)cn2
O=C1Nc2n(nc(c2C2(C1)c1cc(F)ccc1N(C2=O)CC=Cc1ccccc1)C)c1ncnc2c1nc(nH)2
ZINC000524732628
ZINC000524732629
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