Vitas-M small molecule compound
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006147
SMILES CC1CC(C)CN(C1)c1nc2c(n1CCSc1nc3c(s1)cccc3)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 C23H28N6O2S2 MW 484.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N6O2S2/c1-14-11-15(2)13-28(12-14)21-25-19-18(20(30)27(4)23(31)26(19)3)29(21)9-10-32-22-24-16-7-5-6-8-17(16)33-22/h5-8,14-15H,9-13H2,1-4H3InChIKey
NYFUUMYODUUSGT-UHFFFAOYSA-NSynonyms
685860-69-9685860699
7(2(13benzothiazol2ylsulfanyl)ethyl)8(35dimethylpiperidin1yl)13dimethyl37dihydro1Hpurine26dione
7(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)8(35DIMETHYLPIPERIDIN1YL)13DIMETHYLPURINE26DIONE
7(2(BENZO(D)THIAZOL2YLTHIO)ETHYL)8(35DIMETHYLPIPERIDIN1YL)13DIMETHYL1HPURINE26(3H7H)DIONE
7(2BENZOTHIAZOL2YLTHIOETHYL)8(35DIMETHYLPIPERIDYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NC5=CC=CC=C5S4)C(=O)N(C(=O)N3C)C)C
InChI=1SC23H28N6O2S2c1141115(2)1328(1214)21251918(20(30)27(4)23(31)26(19)3)29(21)91032222416756817(16)3322h581415H913H214H3
MFCD04167279
ZINC000009281496
ZINC000012531731
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