Vitas-M small molecule compound

3-methyl-8-[(4-methylbenzyl)sulfanyl]-7-octyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK540104
SMILES CCCCCCCCn1c(SCc2ccc(cc2)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 C22H30N4O2S MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O2S/c1-4-5-6-7-8-9-14-26-18-19(25(3)21(28)24-20(18)27)23-22(26)29-15-17-12-10-16(2)11-13-17/h10-13H,4-9,14-15H2,1-3H3,(H,24,27,28)
InChIKey
OTROYJAYTZQXMN-UHFFFAOYSA-N
Synonyms
378210-05-0
378210050
3methyl8((4methylbenzyl)sulfanyl)7octyl37dihydro1Hpurine26dione
3methyl8((4methylbenzyl)thio)7octyl1Hpurine26(3H7H)dione
3METHYL8((4METHYLPHENYL)METHYLSULFANYL)7OCTYLPURINE26DIONE
3METHYL8((4METHYLPHENYL)METHYLTHIO)7OCTYL137TRIHYDROPURINE26DIONE
CCCCCCCCn1c(SCc2ccc(cc2)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C
InChI=1SC22H30N4O2Sc145678914261819(25(3)21(28)2420(18)27)2322(26)291517121016(2)111317h1013H491415H213H3(H242728)
MFCD02984388
ZINC000002313182
ZINC2313182

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Available files

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