Vitas-M small molecule compound
1-{7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-4-carboxamide
Catalog ID
STK844156
SMILES NC(=O)C1CCN(CC1)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 C22H25N7O3S2 MW 499.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N7O3S2/c1-26-18-16(19(31)27(2)22(26)32)29(20(25-18)28-9-7-13(8-10-28)17(23)30)11-12-33-21-24-14-5-3-4-6-15(14)34-21/h3-6,13H,7-12H2,1-2H3,(H2,23,30)InChIKey
JFHAOORXBRTLLP-UHFFFAOYSA-NSynonyms
476482-20-91(7(2(13benzothiazol2ylsulfanyl)ethyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperidine4carboxamide
1(7(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)13DIMETHYL26DIOXOPURIN8YL)PIPERIDINE4CARBOXAMIDE
1(7(2(benzo(d)thiazol2ylthio)ethyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperidine4carboxamide
1(7(2BENZOTHIAZOL2YLTHIOETHYL)13DIMETHYL26DIOXO137TRIHYDROPURIN8YL)PIPERIDINE4CARBOXAMIDE
476482209
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC5=CC=CC=C5S4
InChI=1SC22H25N7O3S2c1261816(19(31)27(2)22(26)32)29(20(2518)289713(81028)17(23)30)111233212414534615(14)3421h3613H712H212H3(H22330)
MFCD03671996
ZINC000004019840
ZINC04019840
ZINC4019840
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