Vitas-M small molecule compound
7-hexyl-1,3-dimethyl-8-[(4-methylbenzyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK543743
SMILES CCCCCCn1c(SCc2ccc(cc2)C)nc2c1c(=O)n(c(=O)n2C)C
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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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c1-5-6-7-8-13-25-17-18(23(3)21(27)24(4)19(17)26)22-20(25)28-14-16-11-9-15(2)10-12-16/h9-12H,5-8,13-14H2,1-4H3InChIKey
UIGBYCIDIHVBCO-UHFFFAOYSA-NSynonyms
489442-17-3489442173
7hexyl13dimethyl8((4methylbenzyl)sulfanyl)37dihydro1Hpurine26dione
7hexyl13dimethyl8((4methylbenzyl)thio)1Hpurine26(3H7H)dione
7HEXYL13DIMETHYL8((4METHYLPHENYL)METHYLSULFANYL)PURINE26DIONE
CCCCCCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)N(C2=O)C)C
InChI=1SC21H28N4O2Sc1567813251718(23(3)21(27)24(4)19(17)26)2220(25)28141611915(2)101216h912H581314H214H3
MFCD03297243
ZINC000013584494
ZINC13584494
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