Vitas-M small molecule compound
8-(benzylsulfanyl)-7-[(2E)-but-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK834770
SMILES C/C=C/Cn1c(SCc2ccccc2)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 C17H18N4O2S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O2S/c1-3-4-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,19,22,23)/b4-3+InChIKey
TZABDFYHNLGMHW-ONEGZZNKSA-NSynonyms
1164542-45-3(E)8(benzylthio)7(but2en1yl)3methyl1Hpurine26(3H7H)dione
1164542453
7((2E)BUT2ENYL)3METHYL8(PHENYLMETHYLTHIO)137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)3METHYL8(PHENYLMETHYLSULFANYL)PURINE26DIONE
7((E)BUT2ENYL)3METHYL8(PHENYLMETHYLTHIO)PURINE26DIONE
8(benzylsulfanyl)7((2E)but2en1yl)3methyl37dihydro1Hpurine26dione
8(BENZYLTHIO)7((E)BUT2ENYL)3METHYLXANTHINE
8BENZYLSULFANYL7((E)BUT2ENYL)3METHYL37DIHYDROPURINE26DIONE
8BENZYLSULFANYL7((E)BUT2ENYL)3METHYLPURINE26DIONE
8BENZYLSULFANYL7BUT2ENYL3METHYL37DIHYDROPURINE26DIONE
CC=CCn1c(SCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC17H18N4O2Sc13410211314(20(2)16(23)1915(13)22)1817(21)2411128657912h39H1011H212H3(H192223)b43+
MFCD01555655
ZINC000012343370
ZINC12343370
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