Vitas-M small molecule compound
7-benzyl-3-methyl-8-[(4-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK840802
SMILES Cc1ccc(cc1)CSc1nc2c(n1Cc1ccccc1)c(=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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-14-8-10-16(11-9-14)13-28-21-22-18-17(19(26)23-20(27)24(18)2)25(21)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,26,27)InChIKey
PZRPBYRDJIHWNG-UHFFFAOYSA-NSynonyms
378210-36-7378210367
3METHYL8((4METHYLPHENYL)METHYLTHIO)7BENZYL137TRIHYDROPURINE26DIONE
7benzyl3methyl8((4methylbenzyl)sulfanyl)37dihydro1Hpurine26dione
7BENZYL3METHYL8((4METHYLBENZYL)THIO)1HPURINE26(3H7H)DIONE
7BENZYL3METHYL8((4METHYLPHENYL)METHYLSULFANYL)PURINE26DIONE
CC1=CC=C(C=C1)CSC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C
Cc1ccc(cc1)CSc1nc2c(n1Cc1ccccc1)c(=O)(nH)c(=O)n2C
InChI=1SC21H20N4O2Sc11481016(11914)132821221817(19(26)2320(27)24(18)2)25(21)12156435715h311H1213H212H3(H232627)
MFCD02984531
ZINC000012377493
ZINC12377493
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