Vitas-M small molecule compound
6-hydroxy-3-methyl-7-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STL049260
SMILES Oc1nc(=O)n(c2c1n(CCSc1nncn1C)c(n2)N1CCCCC1)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 C16H22N8O2S MW 390.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N8O2S/c1-21-10-17-20-16(21)27-9-8-24-11-12(22(2)15(26)19-13(11)25)18-14(24)23-6-4-3-5-7-23/h10H,3-9H2,1-2H3,(H,19,25,26)InChIKey
FQNZUAORWUHHOS-UHFFFAOYSA-NSynonyms
685860-39-33METHYL7(2((4METHYL124TRIAZOL3YL)SULFANYL)ETHYL)8PIPERIDIN1YLPURINE26DIONE
3METHYL7(2((4METHYL4H124TRIAZOL3YL)THIO)ETHYL)8(PIPERIDIN1YL)1HPURINE26(3H7H)DIONE
3METHYL7(2(4METHYL(124TRIAZOL3YLTHIO))ETHYL)8PIPERIDYL137TRIHYDROPURINE26DIONE
685860393
6hydroxy3methyl7(2((4methyl4H124triazol3yl)sulfanyl)ethyl)8(piperidin1yl)37dihydro2Hpurin2one
CN1C=NN=C1SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)NC3=O)C
InChI=1SC16H22N8O2Sc12110172016(21)2798241112(22(2)15(26)1913(11)25)1814(24)236435723h10H39H212H3(H192526)
MFCD05729350
ZINC000001253127
ZINC01253127
ZINC1253127
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