Vitas-M small molecule compound

7-heptyl-3-methyl-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK528355
SMILES CCCCCCCn1c(SCC=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 C16H24N4O2S MW 336.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H24N4O2S/c1-4-6-7-8-9-10-20-12-13(17-16(20)23-11-5-2)19(3)15(22)18-14(12)21/h5H,2,4,6-11H2,1,3H3,(H,18,21,22)
InChIKey
COAXVSXXPWOSFB-UHFFFAOYSA-N
Synonyms
331675-20-8
331675208
7heptyl3methyl8(prop2en1ylsulfanyl)37dihydro1Hpurine26dione
7HEPTYL3METHYL8PROP2ENYLSULFANYLPURINE26DIONE
7HEPTYL3METHYL8PROP2ENYLTHIO137TRIHYDROPURINE26DIONE
8(ALLYLSULFANYL)7HEPTYL3METHYL37DIHYDRO1HPURINE26DIONE
8(allylthio)7heptyl3methyl1Hpurine26(3H7H)dione
8ALLYLSULFANYL7HEPTYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCCn1c(SCC=C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCN1C2=C(N=C1SCC=C)N(C(=O)NC2=O)C
InChI=1SC16H24N4O2Sc14678910201213(1716(20)231152)19(3)15(22)1814(12)21h5H24611H213H3(H182122)
MFCD00809856
ZINC000008397432
ZINC08397432
ZINC8397432

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Available files

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