Vitas-M small molecule compound
8-[(2-chloro-6-fluorobenzyl)sulfanyl]-6-hydroxy-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STK562652
SMILES Cc1cccc(c1)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 C21H18ClFN4O2S MW 444.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN4O2S/c1-12-5-3-6-13(9-12)10-27-17-18(26(2)20(29)25-19(17)28)24-21(27)30-11-14-15(22)7-4-8-16(14)23/h3-9H,10-11H2,1-2H3,(H,25,28,29)InChIKey
JJYLKCZRKVKZSX-UHFFFAOYSA-NSynonyms
442865-13-6442865136
8((2chloro6fluorobenzyl)sulfanyl)6hydroxy3methyl7(3methylbenzyl)37dihydro2Hpurin2one
8((2CHLORO6FLUOROBENZYL)THIO)3METHYL7(3METHYLBENZYL)1HPURINE26(3H7H)DIONE
8((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)3METHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
8((2CHLORO6FLUOROPHENYL)METHYLTHIO)3METHYL7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=C(C=CC=C4Cl)F)N(C(=O)NC3=O)C
InChI=1SC21H18ClFN4O2Sc11253613(912)10271718(26(2)20(29)2519(17)28)2421(27)30111415(22)74816(14)23h39H1011H212H3(H252829)
MFCD03802993
ZINC000000634584
ZINC00634584
ZINC634584
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