Vitas-M small molecule compound

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

Catalog ID
STK537201
SMILES CCCCCCCCSc1nc2c(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 C22H30N4O2S MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O2S/c1-4-5-6-7-8-12-15-29-21-23-19-18(20(27)25(3)22(28)24(19)2)26(21)16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3
InChIKey
ICBLXYYBKTUEED-UHFFFAOYSA-N
Synonyms
374549-44-7
13DIMETHYL8OCTYLTHIO7BENZYL137TRIHYDROPURINE26DIONE
374549447
7benzyl13dimethyl8(octylsulfanyl)37dihydro1Hpurine26dione
7benzyl13dimethyl8(octylthio)1Hpurine26(3H7H)dione
7BENZYL13DIMETHYL8OCTYLSULFANYLPURINE26DIONE
CCCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C
InChI=1SC22H30N4O2Sc14567812152921231918(20(27)25(3)22(28)24(19)2)26(21)161713109111417h9111314H48121516H213H3
MFCD01957223
ZINC000100726297
ZINC100726297

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Available files

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