Vitas-M small molecule compound
6-(4-fluorobenzyl)-3'-methyl-1'-(7H-purin-6-yl)-1',2,3,7'-tetrahydrospiro[1,4-dioxino[2,3-f]indole-8,4'-pyrazolo[3,4-b]pyridine]-6',7(5'H,6H)-dione
Catalog ID
STL491753
SMILES O=C1Nc2n(nc(c2C2(C1)c1cc3OCCOc3cc1N(C2=O)Cc1ccc(cc1)F)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 C28H21FN8O4 MW 552.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN8O4/c1-14-22-25(37(35-14)26-23-24(31-12-30-23)32-13-33-26)34-21(38)10-28(22)17-8-19-20(41-7-6-40-19)9-18(17)36(27(28)39)11-15-2-4-16(29)5-3-15/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,34,38)(H,30,31,32,33)InChIKey
JVUAMZRIRKPPMQ-UHFFFAOYSA-NSynonyms
6(4fluorobenzyl)3methyl1(7Hpurin6yl)1237tetrahydrospiro(14dioxino(23f)indole84pyrazolo(34b)pyridine)67(5H6H)dione
6(4fluorobenzyl)3methyl1(9Hpurin6yl)2357tetrahydrospiro((14)dioxino(23f)indole84pyrazolo(34b)pyridine)67(1H6H)dione
MFCD30714710
O=C1Nc2n(nc(c2C2(C1)c1cc3OCCOc3cc1N(C2=O)Cc1ccc(cc1)F)C)c1ncnc2c1(nH)cn2
O=C1Nc2n(nc(c2C2(C1)c1cc3OCCOc3cc1N(C2=O)Cc1ccc(cc1)F)C)c1ncnc2c1nc(nH)2
ZINC000101411574
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