Vitas-M small molecule compound

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

Catalog ID
STK699778
SMILES CCCCCCCCSc1nc2c(n1CCCCCC)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 C20H34N4O2S MW 394.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H34N4O2S/c1-4-6-8-10-11-13-15-27-20-21-17-16(18(25)22-19(26)23(17)3)24(20)14-12-9-7-5-2/h4-15H2,1-3H3,(H,22,25,26)
InChIKey
FWKVKDCFXJRUGJ-UHFFFAOYSA-N
Synonyms
332033-56-4
332033564
7hexyl3methyl8(octylsulfanyl)37dihydro1Hpurine26dione
7hexyl3methyl8(octylthio)1Hpurine26(3H7H)dione
7HEXYL3METHYL8OCTYLSULFANYL37DIHYDROPURINE26DIONE
7HEXYL3METHYL8OCTYLSULFANYLPURINE26DIONE
7HEXYL3METHYL8OCTYLTHIO137TRIHYDROPURINE26DIONE
CCCCCCCCSC1=NC2=C(N1CCCCCC)C(=O)NC(=O)N2C
CCCCCCCCSc1nc2c(n1CCCCCC)c(=O)(nH)c(=O)n2C
InChI=1SC20H34N4O2Sc1468101113152720211716(18(25)2219(26)23(17)3)24(20)14129752h415H213H3(H222526)
MFCD01186348
ZINC000008426369
ZINC08426369
ZINC8426369

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Available files

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