Vitas-M small molecule compound

7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK035255
SMILES CCCCCCCCSc1nc2c(n1CC(COc1ccccc1)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 C23H32N4O4S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O4S/c1-3-4-5-6-7-11-14-32-23-24-20-19(21(29)25-22(30)26(20)2)27(23)15-17(28)16-31-18-12-9-8-10-13-18/h8-10,12-13,17,28H,3-7,11,14-16H2,1-2H3,(H,25,29,30)
InChIKey
NNMLEANQLYAKMJ-UHFFFAOYSA-N
Synonyms
303970-82-3
303970823
7(2HYDROXY3PHENOXYPROPYL)3METHYL8(OCTYLSULFANYL)37DIHYDRO1HPURINE26DIONE
7(2hydroxy3phenoxypropyl)3methyl8(octylthio)1Hpurine26(3H7H)dione
7(2HYDROXY3PHENOXYPROPYL)3METHYL8OCTYLSULFANYL37DIHYDROPURINE26DIONE
7(2HYDROXY3PHENOXYPROPYL)3METHYL8OCTYLSULFANYLPURINE26DIONE
7(2HYDROXY3PHENOXYPROPYL)3METHYL8OCTYLTHIO137TRIHYDROPURINE26DIONE
CCCCCCCCSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C
CCCCCCCCSc1nc2c(n1CC(COc1ccccc1)O)c(=O)(nH)c(=O)n2C
InChI=1SC23H32N4O4Sc13456711143223242019(21(29)2522(30)26(20)2)27(23)1517(28)1631181298101318h81012131728H37111416H212H3(H252930)
MFCD01185893
STK035255
ZINC000008426332
ZINC000008426333

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.