Vitas-M small molecule compound
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006521
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nc3c(s1)cccc3)c(n2)N1CCOCC1
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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 C20H22N6O3S2 MW 458.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O3S2/c1-23-16-15(17(27)24(2)20(23)28)26(18(22-16)25-7-10-29-11-8-25)9-12-30-19-21-13-5-3-4-6-14(13)31-19/h3-6H,7-12H2,1-2H3InChIKey
LRILJPRYGFUDPV-UHFFFAOYSA-NSynonyms
685860-72-4685860724
7(2(13benzothiazol2ylsulfanyl)ethyl)13dimethyl8(morpholin4yl)37dihydro1Hpurine26dione
7(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)13DIMETHYL8MORPHOLIN4YLPURINE26DIONE
7(2(BENZO(D)THIAZOL2YLTHIO)ETHYL)13DIMETHYL8MORPHOLINO1HPURINE26(3H7H)DIONE
7(2BENZOTHIAZOL2YLTHIOETHYL)13DIMETHYL8MORPHOLIN4YL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCSC4=NC5=CC=CC=C5S4
InChI=1SC20H22N6O3S2c1231615(17(27)24(2)20(23)28)26(18(2216)257102911825)91230192113534614(13)3119h36H712H212H3
MFCD04189764
ZINC000006531071
ZINC06531071
ZINC6531071
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