Vitas-M small molecule compound

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

Catalog ID
STK068784
SMILES CCCCCCCCSc1nc2c(n1C(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 C17H28N4O2S MW 352.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H28N4O2S/c1-5-6-7-8-9-10-11-24-17-18-14-13(21(17)12(2)3)15(22)19-16(23)20(14)4/h12H,5-11H2,1-4H3,(H,19,22,23)
InChIKey
NXJRSXJZJFMJPG-UHFFFAOYSA-N
Synonyms
330180-64-8
330180648
3METHYL7(METHYLETHYL)8OCTYLTHIO137TRIHYDROPURINE26DIONE
3METHYL8(OCTYLSULFANYL)7(PROPAN2YL)37DIHYDRO1HPURINE26DIONE
3METHYL8OCTYLSULFANYL7PROPAN2YLPURINE26DIONE
7isopropyl3methyl8(octylthio)1Hpurine26(3H7H)dione
7ISOPROPYL3METHYL8OCTYLSULFANYL37DIHYDROPURINE26DIONE
CCCCCCCCSC1=NC2=C(N1C(C)C)C(=O)NC(=O)N2C
CCCCCCCCSc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C
InChI=1SC17H28N4O2Sc15678910112417181413(21(17)12(2)3)15(22)1916(23)20(14)4h12H511H214H3(H192223)
MFCD01032089
STK068784
ZINC000002217775
ZINC2217775

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Available files

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