Vitas-M small molecule compound

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

Catalog ID
STK082161
SMILES CCCCCCCn1c(SCC(=O)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 C16H24N4O3S MW 352.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N4O3S/c1-4-5-6-7-8-9-20-12-13(17-16(20)24-10-11(2)21)19(3)15(23)18-14(12)22/h4-10H2,1-3H3,(H,18,22,23)
InChIKey
WUQGPSKXENXRQQ-UHFFFAOYSA-N
Synonyms
313470-78-9
313470789
7HEPTYL3METHYL8((2OXOPROPYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7HEPTYL3METHYL8((2OXOPROPYL)THIO)1HPURINE26(3H7H)DIONE
7HEPTYL3METHYL8(2OXOPROPYLSULFANYL)37DIHYDROPURINE26DIONE
7HEPTYL3METHYL8(2OXOPROPYLSULFANYL)PURINE26DIONE
7HEPTYL3METHYL8(2OXOPROPYLTHIO)137TRIHYDROPURINE26DIONE
CCCCCCCn1c(SCC(=O)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C
InChI=1SC16H24N4O3Sc1456789201213(1716(20)241011(2)21)19(3)15(23)1814(12)22h410H213H3(H182223)
MFCD01032099
STK082161
ZINC000008424478
ZINC08424478
ZINC8424478

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Available files

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