Vitas-M small molecule compound
8-(4-benzylpiperidin-1-yl)-1,3-dimethyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006939
SMILES O=c1n(C)c2nc(n(c2c(=O)n1C)CCSc1ncccn1)N1CCC(CC1)Cc1ccccc1
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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 C25H29N7O2S MW 491.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N7O2S/c1-29-21-20(22(33)30(2)25(29)34)32(15-16-35-23-26-11-6-12-27-23)24(28-21)31-13-9-19(10-14-31)17-18-7-4-3-5-8-18/h3-8,11-12,19H,9-10,13-17H2,1-2H3InChIKey
OULJWVFQKIRGLS-UHFFFAOYSA-NSynonyms
845664-34-813DIMETHYL8(4BENZYLPIPERIDYL)7(2PYRIMIDIN2YLTHIOETHYL)137TRIHYDROPURINE26DIONE
8(4benzylpiperidin1yl)13dimethyl7(2(pyrimidin2ylsulfanyl)ethyl)37dihydro1Hpurine26dione
8(4BENZYLPIPERIDIN1YL)13DIMETHYL7(2(PYRIMIDIN2YLTHIO)ETHYL)1HPURINE26(3H7H)DIONE
8(4BENZYLPIPERIDIN1YL)13DIMETHYL7(2PYRIMIDIN2YLSULFANYLETHYL)PURINE26DIONE
845664348
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCSC5=NC=CC=N5
InChI=1SC25H29N7O2Sc1292120(22(33)30(2)25(29)34)32(1516352326116122723)24(2821)3113919(101431)17187435818h38111219H9101317H212H3
MFCD04168765
ZINC000009282218
ZINC09282218
ZINC9282218
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