Vitas-M small molecule compound
6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-2H-purin-2-one
Catalog ID
STK582902
SMILES CN1CCN(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 C16H22N8O2S2 MW 422.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N8O2S2/c1-10-19-20-16(28-10)27-9-8-24-11-12(22(3)15(26)18-13(11)25)17-14(24)23-6-4-21(2)5-7-23/h4-9H2,1-3H3,(H,18,25,26)InChIKey
XSZIZDIJWBBZSA-UHFFFAOYSA-NSynonyms
850914-30-63METHYL7(2((5METHYL134THIADIAZOL2YL)THIO)ETHYL)8(4METHYLPIPERAZIN1YL)1HPURINE26(3H7H)DIONE
3METHYL7(2(5METHYL(134THIADIAZOL2YLTHIO))ETHYL)8(4METHYLPIPERAZINYL)137TRIHYDROPURINE26DIONE
3METHYL8(4METHYLPIPERAZIN1YL)7(2((5METHYL134THIADIAZOL2YL)SULFANYL)ETHYL)PURINE26DIONE
6hydroxy3methyl8(4methylpiperazin1yl)7(2((5methyl134thiadiazol2yl)sulfanyl)ethyl)37dihydro2Hpurin2one
850914306
CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCN(CC4)C)N(C(=O)NC3=O)C
InChI=1SC16H22N8O2S2c110192016(2810)2798241112(22(3)15(26)1813(11)25)1714(24)236421(2)5723h49H213H3(H182526)
MFCD07212292
ZINC000002224915
ZINC2224915
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