Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK529982
SMILES C/C=C/Cn1c(SCCc2ccccc2)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 C18H20N4O2S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O2S/c1-3-4-11-22-14-15(21(2)17(24)20-16(14)23)19-18(22)25-12-10-13-8-6-5-7-9-13/h3-9H,10-12H2,1-2H3,(H,20,23,24)/b4-3+InChIKey
LORXGUWCJITDMT-ONEGZZNKSA-NSynonyms
313470-42-7(E)7(but2en1yl)3methyl8(phenethylthio)1Hpurine26(3H7H)dione
7((2E)but2en1yl)3methyl8((2phenylethyl)sulfanyl)37dihydro1Hpurine26dione
7((2E)BUT2ENYL)3METHYL8(2PHENYLETHYLTHIO)137TRIHYDROPURINE26DIONE
7((E)but2enyl)3methyl8(2phenylethylsulfanyl)purine26dione
7((E)BUT2ENYL)3METHYL8PHENETHYLSULFANYLPURINE26DIONE
7(2BUTENYL)3METHYL8((2PHENYLETHYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7BUT2ENYL3METHYL8PHENETHYLSULFANYL37DIHYDROPURINE26DIONE
CC=CCn1c(SCCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SCCC3=CC=CC=C3)N(C(=O)NC2=O)C
Registry IDs
MFCD01555301ZINC000012647441
ZINC12647441
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