Vitas-M small molecule compound
8-[(4-chlorobenzyl)sulfanyl]-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK834201
SMILES Cc1ccc(cc1)Cn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=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 C21H19ClN4O2S MW 426.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S/c1-13-3-5-14(6-4-13)11-26-17-18(25(2)20(28)24-19(17)27)23-21(26)29-12-15-7-9-16(22)10-8-15/h3-10H,11-12H2,1-2H3,(H,24,27,28)InChIKey
GACDSWQMTHFUOV-UHFFFAOYSA-NSynonyms
313395-99-2313395992
8((4chlorobenzyl)sulfanyl)3methyl7(4methylbenzyl)37dihydro1Hpurine26dione
8((4CHLOROBENZYL)THIO)3METHYL7(4METHYLBENZYL)1HPURINE26(3H7H)DIONE
8((4CHLOROPHENYL)METHYLSULFANYL)3METHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
8((4CHLOROPHENYL)METHYLTHIO)3METHYL7((4METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2SCC4=CC=C(C=C4)Cl)N(C(=O)NC3=O)C
Cc1ccc(cc1)Cn1c(SCc2ccc(cc2)Cl)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC21H19ClN4O2Sc1133514(6413)11261718(25(2)20(28)2419(17)27)2321(26)2912157916(22)10815h310H1112H212H3(H242728)
MFCD01875145
ZINC000000850866
ZINC00850866
ZINC850866
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