Vitas-M small molecule compound
8-[(2E)-but-2-en-1-ylsulfanyl]-7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK065522
SMILES C/C=C/CSc1nc2c(n1CC(COc1cccc3c1cccc3)O)c(=O)[nH]c(=O)n2C
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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 C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c1-3-4-12-32-23-24-20-19(21(29)25-22(30)26(20)2)27(23)13-16(28)14-31-18-11-7-9-15-8-5-6-10-17(15)18/h3-11,16,28H,12-14H2,1-2H3,(H,25,29,30)/b4-3+InChIKey
DRLRLEXUWPGTMR-ONEGZZNKSA-NSynonyms
303970-54-9(E)8(but2en1ylthio)7(2hydroxy3(naphthalen1yloxy)propyl)3methyl1Hpurine26(3H7H)dione
303970549
8((2E)BUT2EN1YLSULFANYL)7(2HYDROXY3(NAPHTHALEN1YLOXY)PROPYL)3METHYL37DIHYDRO1HPURINE26DIONE
8((2E)BUT2ENYLTHIO)7(2HYDROXY3NAPHTHYLOXYPROPYL)3METHYL137TRIHYDROPURINE26DIONE
8((E)BUT2ENYL)SULFANYL7(2HYDROXY3NAPHTHALEN1YLOXYPROPYL)3METHYLPURINE26DIONE
CC=CCSC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C
CC=CCSc1nc2c(n1CC(COc1cccc3c1cccc3)O)c(=O)(nH)c(=O)n2C
InChI=1SC23H24N4O4Sc134123223242019(21(29)2522(30)26(20)2)27(23)1316(28)1431181179158561017(15)18h3111628H1214H212H3(H252930)b43+
MFCD01554582
STK065522
ZINC000006014684
ZINC000006014685
Check stock
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Check stock on Vitas-MAvailable files
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