Vitas-M small molecule compound

1,3-dimethyl-7-(4-methylbenzyl)-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL006201
SMILES CCCCCSc1nc2c(n1Cc1ccc(cc1)C)c(=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 C20H26N4O2S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O2S/c1-5-6-7-12-27-19-21-17-16(18(25)23(4)20(26)22(17)3)24(19)13-15-10-8-14(2)9-11-15/h8-11H,5-7,12-13H2,1-4H3
InChIKey
IUPSDQVCYBNDPV-UHFFFAOYSA-N
Synonyms
476480-02-1
13DIMETHYL7((4METHYLPHENYL)METHYL)8PENTYLSULFANYLPURINE26DIONE
13dimethyl7(4methylbenzyl)8(pentylsulfanyl)37dihydro1Hpurine26dione
13DIMETHYL7(4METHYLBENZYL)8(PENTYLTHIO)1HPURINE26(3H7H)DIONE
476480021
CCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)C)C(=O)N(C(=O)N2C)C
InChI=1SC20H26N4O2Sc1567122719211716(18(25)23(4)20(26)22(17)3)24(19)131510814(2)91115h811H571213H214H3
MFCD03933544
ZINC000013758577
ZINC13758577

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Available files

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