Vitas-M small molecule compound
4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
Catalog ID
STK262727
SMILES COCCNC(=S)N1CCN(CC1)c1nc2c(n1Cc1ccccc1)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 C22H29N7O3S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N7O3S/c1-25-18-17(19(30)26(2)22(25)31)29(15-16-7-5-4-6-8-16)20(24-18)27-10-12-28(13-11-27)21(33)23-9-14-32-3/h4-8H,9-15H2,1-3H3,(H,23,33)InChIKey
BPGSFQCSINVOPJ-UHFFFAOYSA-NSynonyms
4(7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)N(2methoxyethyl)piperazine1carbothioamide
4(7benzyl13dimethyl26dioxopurin8yl)N(2methoxyethyl)piperazine1carbothioamide
8(4(((2METHOXYETHYL)AMINO)THIOXOMETHYL)PIPERAZINYL)13DIMETHYL7BENZYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=S)NCCOC)CC4=CC=CC=C4
InChI=1SC22H29N7O3Sc1251817(19(30)26(2)22(25)31)29(15167546816)20(2418)27101228(131127)21(33)23914323h48H915H213H3(H2333)
MFCD07626861
ZINC000008775359
ZINC08775359
ZINC8775359
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