Vitas-M small molecule compound

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

Catalog ID
STK044637
SMILES CCCCCCCCCSc1nc2c(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 C24H33ClN4O4S MW 509.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33ClN4O4S/c1-3-4-5-6-7-8-9-14-34-24-26-21-20(22(31)27-23(32)28(21)2)29(24)15-18(30)16-33-19-12-10-17(25)11-13-19/h10-13,18,30H,3-9,14-16H2,1-2H3,(H,27,31,32)
InChIKey
XJDHIAKEWLDZHV-UHFFFAOYSA-N
Synonyms
316358-60-8
316358608
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8(NONYLSULFANYL)37DIHYDRO1HPURINE26DIONE
7(3(4chlorophenoxy)2hydroxypropyl)3methyl8(nonylthio)1Hpurine26(3H7H)dione
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8NONYLSULFANYLPURINE26DIONE
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)3METHYL8NONYLTHIO137TRIHYDROPURINE26DIONE
CCCCCCCCCSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C
CCCCCCCCCSc1nc2c(n1CC(COc1ccc(cc1)Cl)O)c(=O)(nH)c(=O)n2C
InChI=1SC24H33ClN4O4Sc13456789143424262120(22(31)2723(32)28(21)2)29(24)1518(30)163319121017(25)111319h10131830H391416H212H3(H273132)
MFCD01079297
STK044637
ZINC000008398306
ZINC000008398313

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Available files

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