Vitas-M small molecule compound

8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK540264
SMILES C=CCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

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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 C17H16ClFN4O2S MW 394.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClFN4O2S/c1-4-8-23-13-14(21(2)17(25)22(3)15(13)24)20-16(23)26-9-10-11(18)6-5-7-12(10)19/h4-7H,1,8-9H2,2-3H3
InChIKey
YEYXFBFXBDSERN-UHFFFAOYSA-N
Synonyms
378214-44-9
378214449
7allyl8((2chloro6fluorobenzyl)thio)13dimethyl1Hpurine26(3H7H)dione
8((2chloro6fluorobenzyl)sulfanyl)13dimethyl7(prop2en1yl)37dihydro1Hpurine26dione
8((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)13DIMETHYL7PROP2ENYLPURINE26DIONE
8((2CHLORO6FLUOROPHENYL)METHYLTHIO)13DIMETHYL7PROP2ENYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC=C
InChI=1SC17H16ClFN4O2Sc148231314(21(2)17(25)22(3)15(13)24)2016(23)2691011(18)65712(10)19h47H189H223H3
MFCD02984606
ZINC000000629282
ZINC00629282
ZINC629282

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Available files

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