Vitas-M small molecule compound
8-[benzyl(methyl)amino]-1,3-dimethyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK847731
SMILES Cc1nnc(s1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N(Cc1ccccc1)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 C20H23N7O2S2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O2S2/c1-13-22-23-19(31-13)30-11-10-27-15-16(25(3)20(29)26(4)17(15)28)21-18(27)24(2)12-14-8-6-5-7-9-14/h5-9H,10-12H2,1-4H3InChIKey
AEFDHGJQUSAVJD-UHFFFAOYSA-NSynonyms
850914-98-613DIMETHYL7(2(5METHYL(134THIADIAZOL2YLTHIO))ETHYL)8(METHYLBENZYLAMINO)137TRIHYDROPURINE26DIONE
8(benzyl(methyl)amino)13dimethyl7(2((5methyl134thiadiazol2yl)sulfanyl)ethyl)37dihydro1Hpurine26dione
8(BENZYL(METHYL)AMINO)13DIMETHYL7(2((5METHYL134THIADIAZOL2YL)SULFANYL)ETHYL)PURINE26DIONE
8(BENZYL(METHYL)AMINO)13DIMETHYL7(2((5METHYL134THIADIAZOL2YL)THIO)ETHYL)1HPURINE26(3H7H)DIONE
850914986
CC1=NN=C(S1)SCCN2C3=C(N=C2N(C)CC4=CC=CC=C4)N(C(=O)N(C3=O)C)C
InChI=1SC20H23N7O2S2c113222319(3113)301110271516(25(3)20(29)26(4)17(15)28)2118(27)24(2)12148657914h59H1012H214H3
MFCD04456972
ZINC000037866271
ZINC37866271
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