Vitas-M small molecule compound
8-(heptylsulfanyl)-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK069526
SMILES CCCCCCCSc1nc2c(n1Cc1ccc(cc1)C)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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c1-4-5-6-7-8-13-28-21-22-18-17(19(26)23-20(27)24(18)3)25(21)14-16-11-9-15(2)10-12-16/h9-12H,4-8,13-14H2,1-3H3,(H,23,26,27)InChIKey
GMWWFIISOVGZOC-UHFFFAOYSA-NSynonyms
303969-94-0303969940
8(HEPTYLSULFANYL)3METHYL7(4METHYLBENZYL)37DIHYDRO1HPURINE26DIONE
8(heptylthio)3methyl7(4methylbenzyl)1Hpurine26(3H7H)dione
8HEPTYLSULFANYL3METHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
CCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)NC(=O)N2C
CCCCCCCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)(nH)c(=O)n2C
InChI=1SC21H28N4O2Sc145678132821221817(19(26)2320(27)24(18)3)25(21)141611915(2)101216h912H481314H213H3(H232627)
MFCD01879812
STK069526
ZINC000097949785
ZINC97949785
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