Vitas-M small molecule compound

8-[(2-chloro-6-fluorobenzyl)sulfanyl]-6-hydroxy-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STL044464
SMILES CC(=C)Cn1c(SCc2c(F)cccc2Cl)nc2c1c(O)nc(=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 C17H16ClFN4O2S MW 394.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClFN4O2S/c1-9(2)7-23-13-14(22(3)16(25)21-15(13)24)20-17(23)26-8-10-11(18)5-4-6-12(10)19/h4-6H,1,7-8H2,2-3H3,(H,21,24,25)
InChIKey
RRNPGLCJRXJQQS-UHFFFAOYSA-N
Synonyms
377058-49-6
377058496
8((2chloro6fluorobenzyl)sulfanyl)6hydroxy3methyl7(2methylprop2en1yl)37dihydro2Hpurin2one
8((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)3METHYL7(2METHYLPROP2ENYL)PURINE26DIONE
8((6CHLORO2FLUOROPHENYL)METHYLTHIO)3METHYL7(2METHYLPROP2ENYL)137TRIHYDROPURINE26DIONE
CC(=C)CN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C
InChI=1SC17H16ClFN4O2Sc19(2)7231314(22(3)16(25)2115(13)24)2017(23)2681011(18)54612(10)19h46H178H223H3(H212425)
MFCD03805839
ZINC000000629317
ZINC00629317
ZINC629317

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Available files

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