Vitas-M small molecule compound

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

Catalog ID
STL044097
SMILES Fc1cccc(c1CSc1nc2c(n1CCCc1ccccc1)c(O)nc(=O)n2C)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 C22H20ClFN4O2S MW 458.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClFN4O2S/c1-27-19-18(20(29)26-21(27)30)28(12-6-9-14-7-3-2-4-8-14)22(25-19)31-13-15-16(23)10-5-11-17(15)24/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,26,29,30)
InChIKey
HYFSGUCDYJFLGV-UHFFFAOYSA-N
Synonyms
376618-18-7
376618187
8((2chloro6fluorobenzyl)sulfanyl)6hydroxy3methyl7(3phenylpropyl)37dihydro2Hpurin2one
8((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)3METHYL7(3PHENYLPROPYL)PURINE26DIONE
8((2CHLORO6FLUOROPHENYL)METHYLTHIO)3METHYL7(3PHENYLPROPYL)137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CCCC4=CC=CC=C4
InChI=1SC22H20ClFN4O2Sc1271918(20(29)2621(27)30)28(1269147324814)22(2519)31131516(23)1051117(15)24h25781011H691213H21H3(H262930)
MFCD03798152
ZINC000000629290
ZINC00629290
ZINC629290

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Available files

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