Vitas-M small molecule compound

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

Catalog ID
STL038426
SMILES Clc1ccccc1Cn1c(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 C20H15Cl2FN4O2S MW 465.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15Cl2FN4O2S/c1-26-17-16(18(28)25-19(26)29)27(9-11-5-2-3-6-13(11)21)20(24-17)30-10-12-14(22)7-4-8-15(12)23/h2-8H,9-10H2,1H3,(H,25,28,29)
InChIKey
WLFJEOXQWYAZQK-UHFFFAOYSA-N
Synonyms
377067-95-3
377067953
7(2chlorobenzyl)8((2chloro6fluorobenzyl)sulfanyl)6hydroxy3methyl37dihydro2Hpurin2one
8((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)7((2CHLOROPHENYL)METHYL)3METHYLPURINE26DIONE
8((2CHLORO6FLUOROPHENYL)METHYLTHIO)7((2CHLOROPHENYL)METHYL)3METHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC4=CC=CC=C4Cl
InChI=1SC20H15Cl2FN4O2Sc1261716(18(28)2519(26)29)27(911523613(11)21)20(2417)30101214(22)74815(12)23h28H910H21H3(H252829)
MFCD03796842
ZINC000000637565
ZINC00637565
ZINC637565

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Available files

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