Vitas-M small molecule compound

8-(benzylsulfanyl)-3-methyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK529221
SMILES CCCCCCCCCn1c(SCc2ccccc2)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 C22H30N4O2S MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O2S/c1-3-4-5-6-7-8-12-15-26-18-19(25(2)21(28)24-20(18)27)23-22(26)29-16-17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15-16H2,1-2H3,(H,24,27,28)
InChIKey
QQQKGURDDFWCBX-UHFFFAOYSA-N
Synonyms
331672-00-5
331672005
3METHYL7NONYL8(PHENYLMETHYLTHIO)137TRIHYDROPURINE26DIONE
8(benzylsulfanyl)3methyl7nonyl37dihydro1Hpurine26dione
8(benzylthio)3methyl7nonyl1Hpurine26(3H7H)dione
8BENZYLSULFANYL3METHYL7NONYL37DIHYDROPURINE26DIONE
8BENZYLSULFANYL3METHYL7NONYLPURINE26DIONE
CCCCCCCCCn1c(SCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC22H30N4O2Sc13456781215261819(25(2)21(28)2420(18)27)2322(26)29161713109111417h9111314H38121516H212H3(H242728)
MFCD00690163
ZINC000008396757
ZINC08396757
ZINC8396757

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Available files

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