Vitas-M small molecule compound

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

Catalog ID
STK839861
SMILES Fc1cccc(c1CSc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C)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 C23H22ClFN4O2S MW 472.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClFN4O2S/c1-27-20-19(21(30)28(2)23(27)31)29(13-7-10-15-8-4-3-5-9-15)22(26-20)32-14-16-17(24)11-6-12-18(16)25/h3-6,8-9,11-12H,7,10,13-14H2,1-2H3
InChIKey
GLXHQFJEJLVUSR-UHFFFAOYSA-N
Synonyms
378198-44-8
378198448
8((2chloro6fluorobenzyl)sulfanyl)13dimethyl7(3phenylpropyl)37dihydro1Hpurine26dione
8((2chloro6fluorobenzyl)thio)13dimethyl7(3phenylpropyl)1Hpurine26(3H7H)dione
8((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)13DIMETHYL7(3PHENYLPROPYL)PURINE26DIONE
8((2CHLORO6FLUOROPHENYL)METHYLTHIO)13DIMETHYL7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CCCC4=CC=CC=C4
InChI=1SC23H22ClFN4O2Sc1272019(21(30)28(2)23(27)31)29(13710158435915)22(2620)32141617(24)1161218(16)25h36891112H7101314H212H3
MFCD02984028
ZINC000000637126
ZINC00637126
ZINC637126

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Available files

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