Vitas-M small molecule compound

8-(benzylsulfanyl)-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840150
SMILES CC(=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/c1-11(2)9-21-13-14(20(3)16(23)19-15(13)22)18-17(21)24-10-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3,(H,19,22,23)
InChIKey
HVVPWSFGBFCAFT-UHFFFAOYSA-N
Synonyms
332098-68-7
332098687
3METHYL7(2METHYLPROP2ENYL)8(PHENYLMETHYLTHIO)137TRIHYDROPURINE26DIONE
8(benzylsulfanyl)3methyl7(2methylprop2en1yl)37dihydro1Hpurine26dione
8(benzylthio)3methyl7(2methylallyl)1Hpurine26(3H7H)dione
8BENZYLSULFANYL3METHYL7(2METHYLALLYL)37DIHYDROPURINE26DIONE
8BENZYLSULFANYL3METHYL7(2METHYLPROP2ENYL)PURINE26DIONE
CC(=C)Cn1c(SCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CC(=C)CN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC17H18N4O2Sc111(2)9211314(20(3)16(23)1915(13)22)1817(21)2410127546812h48H1910H223H3(H192223)
MFCD01877688
ZINC000000266808
ZINC00266808
ZINC266808

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.