Vitas-M small molecule compound
1-(6-hydroxy-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2-oxo-3,7-dihydro-2H-purin-8-yl)piperidine-4-carboxamide
Catalog ID
STL038564
SMILES NC(=O)C1CCN(CC1)c1nc2c(n1CCSc1nnc(s1)C)c(O)nc(=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 C17H22N8O3S2 MW 450.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N8O3S2/c1-9-21-22-17(30-9)29-8-7-25-11-13(23(2)16(28)20-14(11)27)19-15(25)24-5-3-10(4-6-24)12(18)26/h10H,3-8H2,1-2H3,(H2,18,26)(H,20,27,28)InChIKey
ADNDBOIZXPMPCP-UHFFFAOYSA-NSynonyms
476482-42-51(3METHYL7(2((5METHYL134THIADIAZOL2YL)SULFANYL)ETHYL)26DIOXOPURIN8YL)PIPERIDINE4CARBOXAMIDE
1(3METHYL7(2(5METHYL(134THIADIAZOL2YLTHIO))ETHYL)26DIOXO137TRIHYDROPURIN8YL)PIPERIDINE4CARBOXAMIDE
1(6hydroxy3methyl7(2((5methyl134thiadiazol2yl)sulfanyl)ethyl)2oxo37dihydro2Hpurin8yl)piperidine4carboxamide
476482425
CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCC(CC4)C(=O)N)N(C(=O)NC3=O)C
InChI=1SC17H22N8O3S2c19212217(309)2987251113(23(2)16(28)2014(11)27)1915(25)245310(4624)12(18)26h10H38H212H3(H21826)(H202728)
MFCD03812564
ZINC000001896607
ZINC01896607
ZINC1896607
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