Vitas-M small molecule compound

7-[(2E)-but-2-en-1-yl]-8-[(4-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK529674
SMILES C/C=C/Cn1c(SCc2ccc(cc2)Cl)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)25-10-11-5-7-12(18)8-6-11/h3-8H,9-10H2,1-2H3,(H,20,23,24)/b4-3+
InChIKey
ZXTUFZXGGINDRX-ONEGZZNKSA-N
Synonyms
1164542-33-9
(E)7(but2en1yl)8((4chlorobenzyl)thio)3methyl1Hpurine26(3H7H)dione
1164542339
7((2E)but2en1yl)8((4chlorobenzyl)sulfanyl)3methyl37dihydro1Hpurine26dione
7((2E)BUT2ENYL)8((4CHLOROPHENYL)METHYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)8((4CHLOROBENZYL)THIO)3METHYLXANTHINE
7((E)BUT2ENYL)8((4CHLOROPHENYL)METHYLSULFANYL)3METHYLPURINE26DIONE
7((E)BUT2ENYL)8((4CHLOROPHENYL)METHYLTHIO)3METHYLPURINE26DIONE
7((E)BUT2ENYL)8(4CHLOROBENZYLSULFANYL)3METHYL37DIHYDROPURINE26DIONE
7BUT2ENYL8(4CHLOROBENZYLSULFANYL)3METHYL37DIHYDROPURINE26DIONE
CC=CCn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C
InChI=1SC17H17ClN4O2Sc1349221314(21(2)16(24)2015(13)23)1917(22)2510115712(18)8611h38H910H212H3(H202324)b43+
MFCD01553402
ZINC000012532017
ZINC12532017

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Available files

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