Vitas-M small molecule compound

7-hexadecyl-3-methyl-8-(propan-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK527247
SMILES CCCCCCCCCCCCCCCCn1c(SC(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 C25H44N4O2S MW 464.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H44N4O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29-21-22(26-25(29)32-20(2)3)28(4)24(31)27-23(21)30/h20H,5-19H2,1-4H3,(H,27,30,31)
InChIKey
USQCEJLAABGONJ-UHFFFAOYSA-N
Synonyms
352443-54-0
352443540
7hexadecyl3methyl8(propan2ylsulfanyl)37dihydro1Hpurine26dione
7HEXADECYL3METHYL8PROPAN2YLSULFANYLPURINE26DIONE
7HEXADECYL8(ISOPROPYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7hexadecyl8(isopropylthio)3methyl1Hpurine26(3H7H)dione
7HEXADECYL8ISOPROPYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCCCCCCCCCCCn1c(SC(C)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCCCCCCCCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C
InChI=1SC25H44N4O2Sc15678910111213141516171819292122(2625(29)3220(2)3)28(4)24(31)2723(21)30h20H519H214H3(H273031)
MFCD01079774
ZINC000008398503
ZINC8398503

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Available files

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