Vitas-M small molecule compound

3-methyl-7-(3-methylbutyl)-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK528533
SMILES CCCCCCCCSc1nc2c(n1CCC(C)C)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 C19H32N4O2S MW 380.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H32N4O2S/c1-5-6-7-8-9-10-13-26-19-20-16-15(23(19)12-11-14(2)3)17(24)21-18(25)22(16)4/h14H,5-13H2,1-4H3,(H,21,24,25)
InChIKey
QEIBIGFSMNIDAA-UHFFFAOYSA-N
Synonyms
370842-83-4
370842834
3methyl7(3methylbutyl)8(octylsulfanyl)37dihydro1Hpurine26dione
3METHYL7(3METHYLBUTYL)8OCTYLSULFANYL37DIHYDROPURINE26DIONE
3METHYL7(3METHYLBUTYL)8OCTYLSULFANYLPURINE26DIONE
3METHYL7(3METHYLBUTYL)8OCTYLTHIO137TRIHYDROPURINE26DIONE
7isopentyl3methyl8(octylthio)1Hpurine26(3H7H)dione
CCCCCCCCSC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C
CCCCCCCCSc1nc2c(n1CCC(C)C)c(=O)(nH)c(=O)n2C
InChI=1SC19H32N4O2Sc15678910132619201615(23(19)121114(2)3)17(24)2118(25)22(16)4h14H513H214H3(H212425)
MFCD01017645
ZINC000002230310
ZINC2230310

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Available files

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