Vitas-M small molecule compound

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(decylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK026896
SMILES CCCCCCCCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)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 C25H35ClN4O4S MW 523.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35ClN4O4S/c1-3-4-5-6-7-8-9-10-15-35-25-27-22-21(23(32)28-24(33)29(22)2)30(25)16-19(31)17-34-20-13-11-18(26)12-14-20/h11-14,19,31H,3-10,15-17H2,1-2H3,(H,28,32,33)
InChIKey
IAFRPXAEZADEMB-UHFFFAOYSA-N
Synonyms
331726-21-7
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)8(DECYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)8(DECYLSULFANYL)6HYDROXY3METHYL37DIHYDRO2HPURIN2ONE
7(3(4chlorophenoxy)2hydroxypropyl)8(decylthio)3methyl1Hpurine26(3H7H)dione
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)8DECYLSULFANYL3METHYLPURINE26DIONE
CCCCCCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C
CCCCCCCCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)(nH)c(=O)n2C
InChI=1SC25H35ClN4O4Sc1345678910153525272221(23(32)2824(33)29(22)2)30(25)1619(31)173420131118(26)121420h11141931H3101517H212H3(H283233)
MFCD01079298
STK026896
ZINC000008398317
ZINC000008398323

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Available files

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