Vitas-M small molecule compound
8-(benzylsulfanyl)-7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK092836
SMILES C/C(=C/Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)/Cl
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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 C17H17ClN4O2S MW 376.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O2S/c1-11(18)8-9-22-13-14(21(2)16(24)20-15(13)23)19-17(22)25-10-12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,20,23,24)/b11-8-InChIKey
LEPWNUWRQOBYTD-FLIBITNWSA-NSynonyms
326919-01-1(Z)8(benzylthio)7(3chlorobut2en1yl)3methyl1Hpurine26(3H7H)dione
326919011
8(BENZYLSULFANYL)7((2Z)3CHLOROBUT2EN1YL)3METHYL37DIHYDRO1HPURINE26DIONE
8BENZYLSULFANYL7((Z)3CHLOROBUT2ENYL)3METHYLPURINE26DIONE
8BENZYLSULFANYL7(3CHLOROBUT2ENYL)3METHYL37DIHYDROPURINE26DIONE
CC(=CCn1c(SCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C)Cl
CC(=CCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C)Cl
InChI=1SC17H17ClN4O2Sc111(18)89221314(21(2)16(24)2015(13)23)1917(22)2510126435712h38H910H212H3(H202324)b118
MFCD01079286
STK092836
ZINC000000829828
ZINC00829828
ZINC829828
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