Vitas-M small molecule compound

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

Catalog ID
STK042050
SMILES CCCCn1c(SC(C)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 C13H20N4O2S MW 296.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H20N4O2S/c1-5-6-7-17-9-10(14-13(17)20-8(2)3)16(4)12(19)15-11(9)18/h8H,5-7H2,1-4H3,(H,15,18,19)
InChIKey
IHTZIPOLRZMQDD-UHFFFAOYSA-N
Synonyms
303968-82-3
303968823
7BUTYL3METHYL8(METHYLETHYLTHIO)137TRIHYDROPURINE26DIONE
7BUTYL3METHYL8(PROPAN2YLSULFANYL)37DIHYDRO1HPURINE26DIONE
7BUTYL3METHYL8PROPAN2YLSULFANYLPURINE26DIONE
7BUTYL6HYDROXY3METHYL8(PROPAN2YLSULFANYL)37DIHYDRO2HPURIN2ONE
7BUTYL8(ISOPROPYLTHIO)3METHYL1HPURINE26(3H7H)DIONE
7BUTYL8ISOPROPYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CCCCn1c(SC(C)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C
InChI=1SC13H20N4O2Sc156717910(1413(17)208(2)3)16(4)12(19)1511(9)18h8H57H214H3(H151819)
MFCD01185960
STK042050
ZINC01904318
ZINC1904318

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Available files

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