Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-8-[(2-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK700864
SMILES C/C=C/Cn1c(SCc2ccccc2Cl)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 C17H17ClN4O2S MW 376.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O2S/c1-3-4-9-22-13-14(21(2)16(24)20-15(13)23)19-17(22)25-10-11-7-5-6-8-12(11)18/h3-8H,9-10H2,1-2H3,(H,20,23,24)/b4-3+InChIKey
KLMNVRVMDBOMTC-ONEGZZNKSA-NSynonyms
306733-01-7(E)7(but2en1yl)8((2chlorobenzyl)thio)3methyl1Hpurine26(3H7H)dione
306733017
7((2E)but2en1yl)8((2chlorobenzyl)sulfanyl)3methyl37dihydro1Hpurine26dione
7((2E)BUT2ENYL)8((2CHLOROPHENYL)METHYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)8((2CHLOROPHENYL)METHYLSULFANYL)3METHYLPURINE26DIONE
7BUT2ENYL8(2CHLOROBENZYLSULFANYL)3METHYL37DIHYDROPURINE26DIONE
CC=CCn1c(SCc2ccccc2Cl)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)NC2=O)C
InChI=1SC17H17ClN4O2Sc1349221314(21(2)16(24)2015(13)23)1917(22)251011756812(11)18h38H910H212H3(H202324)b43+
MFCD01554831
ZINC000012362788
ZINC12362788
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