Vitas-M small molecule compound

7-benzyl-8-(hexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK537985
SMILES CCCCCCSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C

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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 C20H26N4O2S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O2S/c1-4-5-6-10-13-27-19-21-17-16(18(25)23(3)20(26)22(17)2)24(19)14-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3
InChIKey
PAVFVQAOQJLZFA-UHFFFAOYSA-N
Synonyms

374090434
7benzyl8(hexylsulfanyl)13dimethyl37dihydro1Hpurine26dione
7benzyl8(hexylthio)13dimethyl1Hpurine26(3H7H)dione
7BENZYL8HEXYLSULFANYL13DIMETHYLPURINE26DIONE
8HEXYLTHIO13DIMETHYL7BENZYL137TRIHYDROPURINE26DIONE
CCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C
InChI=1SC20H26N4O2Sc145610132719211716(18(25)23(3)20(26)22(17)2)24(19)1415118791215h791112H46101314H213H3
MFCD01950688
ZINC000012531728
ZINC12531728

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Available files

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