Vitas-M small molecule compound
8-[(2E)-but-2-en-1-ylsulfanyl]-7-butyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK060318
SMILES CCCCn1c(SC/C=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 C14H20N4O2S MW 308.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N4O2S/c1-4-6-8-18-10-11(15-14(18)21-9-7-5-2)17(3)13(20)16-12(10)19/h5,7H,4,6,8-9H2,1-3H3,(H,16,19,20)/b7-5+InChIKey
YLOPSWHAVDXWHN-FNORWQNLSA-NSynonyms
303968-85-6(E)8(but2en1ylthio)7butyl3methyl1Hpurine26(3H7H)dione
303968856
8((2E)BUT2EN1YLSULFANYL)7BUTYL3METHYL37DIHYDRO1HPURINE26DIONE
8((2E)BUT2ENYLTHIO)7BUTYL3METHYL137TRIHYDROPURINE26DIONE
8((E)BUT2ENYL)SULFANYL7BUTYL3METHYLPURINE26DIONE
8BUT2ENYLSULFANYL7BUTYL3METHYL37DIHYDROPURINE26DIONE
CCCCn1c(SCC=CC)nc2c1c(=O)(nH)c(=O)n2C
CCCCN1C2=C(N=C1SCC=CC)N(C(=O)NC2=O)C
InChI=1SC14H20N4O2Sc1468181011(1514(18)219752)17(3)13(20)1612(10)19h57H4689H213H3(H161920)b75+
MFCD01555703
STK060318
ZINC000013635537
ZINC13635537
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