Vitas-M small molecule compound

8-(dodecylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK527804
SMILES CCCCCCCCCCCCSc1nc2c(n1CCCCCCCC)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 C26H46N4O2S MW 478.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H46N4O2S/c1-4-6-8-10-12-13-14-15-17-19-21-33-26-27-23-22(24(31)28-25(32)29(23)3)30(26)20-18-16-11-9-7-5-2/h4-21H2,1-3H3,(H,28,31,32)
InChIKey
QTQQHGWRKUOZFQ-UHFFFAOYSA-N
Synonyms
327169-20-0
327169200
8(dodecylsulfanyl)3methyl7octyl37dihydro1Hpurine26dione
8(dodecylthio)3methyl7octyl1Hpurine26(3H7H)dione
8DODECYLSULFANYL3METHYL7OCTYL37DIHYDROPURINE26DIONE
8DODECYLSULFANYL3METHYL7OCTYLPURINE26DIONE
8DODECYLTHIO3METHYL7OCTYL137TRIHYDROPURINE26DIONE
CCCCCCCCCCCCSC1=NC2=C(N1CCCCCCCC)C(=O)NC(=O)N2C
CCCCCCCCCCCCSc1nc2c(n1CCCCCCCC)c(=O)(nH)c(=O)n2C
InChI=1SC26H46N4O2Sc146810121314151719213326272322(24(31)2825(32)29(23)3)30(26)201816119752h421H213H3(H283132)
MFCD01080087
ZINC000008398604
ZINC08398604
ZINC8398604

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Available files

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