Vitas-M small molecule compound

3-methyl-7-pentyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK835101
SMILES CCCCCSc1nc2c(n1CCCCC)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 C16H26N4O2S MW 338.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H26N4O2S/c1-4-6-8-10-20-12-13(19(3)15(22)18-14(12)21)17-16(20)23-11-9-7-5-2/h4-11H2,1-3H3,(H,18,21,22)
InChIKey
AIRLTQUREVSKBX-UHFFFAOYSA-N
Synonyms
329700-93-8
329700938
3methyl7pentyl8(pentylsulfanyl)37dihydro1Hpurine26dione
3methyl7pentyl8(pentylthio)1Hpurine26(3H7H)dione
3METHYL7PENTYL8PENTYLSULFANYL37DIHYDROPURINE26DIONE
3METHYL7PENTYL8PENTYLSULFANYLPURINE26DIONE
3METHYL7PENTYL8PENTYLTHIO137TRIHYDROPURINE26DIONE
CCCCCN1C2=C(N=C1SCCCCC)N(C(=O)NC2=O)C
CCCCCSc1nc2c(n1CCCCC)c(=O)(nH)c(=O)n2C
InChI=1SC16H26N4O2Sc146810201213(19(3)15(22)1814(12)21)1716(20)23119752h411H213H3(H182122)
MFCD00653102
ZINC000002350924
ZINC02350924
ZINC2350924

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Available files

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