Vitas-M small molecule compound

7-dodecyl-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK699729
SMILES CCCCCCCCCCCCn1c(SCCc2ccccc2)nc2c1c(=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 C26H38N4O2S MW 470.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H38N4O2S/c1-3-4-5-6-7-8-9-10-11-15-19-30-22-23(29(2)25(32)28-24(22)31)27-26(30)33-20-18-21-16-13-12-14-17-21/h12-14,16-17H,3-11,15,18-20H2,1-2H3,(H,28,31,32)
InChIKey
GZHSRNIKEUILEO-UHFFFAOYSA-N
Synonyms
329705-99-9
329705999
7dodecyl3methyl8((2phenylethyl)sulfanyl)37dihydro1Hpurine26dione
7dodecyl3methyl8(2phenylethylsulfanyl)purine26dione
7DODECYL3METHYL8(2PHENYLETHYLTHIO)137TRIHYDROPURINE26DIONE
7dodecyl3methyl8(phenethylthio)1Hpurine26(3H7H)dione
7DODECYL3METHYL8PHENETHYLSULFANYL37DIHYDROPURINE26DIONE
7DODECYL3METHYL8PHENETHYLSULFANYLPURINE26DIONE
CCCCCCCCCCCCn1c(SCCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCCCCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC26H38N4O2Sc1345678910111519302223(29(2)25(32)2824(22)31)2726(30)33201821161312141721h12141617H311151820H212H3(H283132)
MFCD01143530
ZINC000008425695
ZINC08425695
ZINC8425695

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Available files

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