Vitas-M small molecule compound
8-(benzylsulfanyl)-6-hydroxy-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STL149521
SMILES Cc1cccc(c1)Cn1c(SCc2ccccc2)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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-14-7-6-10-16(11-14)12-25-17-18(24(2)20(27)23-19(17)26)22-21(25)28-13-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H,23,26,27)InChIKey
CLUHAWREBIPZQO-UHFFFAOYSA-NSynonyms
303973-16-2303973162
3METHYL7((3METHYLPHENYL)METHYL)8(PHENYLMETHYLTHIO)137TRIHYDROPURINE26DIONE
8(benzylsulfanyl)6hydroxy3methyl7(3methylbenzyl)37dihydro2Hpurin2one
8(BENZYLTHIO)3METHYL7(3METHYLBENZYL)1HPURINE26(3H7H)DIONE
8BENZYLSULFANYL3METHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
8BENZYLSULFANYL3METHYL7(3METHYLBENZYL)37DIHYDROPURINE26DIONE
CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=CC=CC=C4)N(C(=O)NC3=O)C
InChI=1SC21H20N4O2Sc114761016(1114)12251718(24(2)20(27)2319(17)26)2221(25)2813158435915h311H1213H212H3(H232627)
MFCD03796948
ZINC000000839499
ZINC00839499
ZINC839499
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