Vitas-M small molecule compound

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

Catalog ID
STK021528
SMILES CCCCCCCCCCn1c(SCC(C)C)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 C20H34N4O2S MW 394.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H34N4O2S/c1-5-6-7-8-9-10-11-12-13-24-16-17(21-20(24)27-14-15(2)3)23(4)19(26)22-18(16)25/h15H,5-14H2,1-4H3,(H,22,25,26)
InChIKey
NUDDOZAFIDWNLI-UHFFFAOYSA-N
Synonyms
303969-35-9
303969359
7DECYL3METHYL8((2METHYLPROPYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7DECYL3METHYL8(2METHYLPROPYLSULFANYL)PURINE26DIONE
7DECYL3METHYL8(2METHYLPROPYLTHIO)137TRIHYDROPURINE26DIONE
7decyl8(isobutylthio)3methyl1Hpurine26(3H7H)dione
7DECYL8ISOBUTYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCCCCCn1c(SCC(C)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C
InChI=1SC20H34N4O2Sc15678910111213241617(2120(24)271415(2)3)23(4)19(26)2218(16)25h15H514H214H3(H222526)
MFCD01185947
STK021528
ZINC000002317066
ZINC2317066

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Available files

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