Vitas-M small molecule compound
4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-cyclopropylpiperazine-1-carbothioamide
Catalog ID
STK262726
SMILES S=C(N1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C)NC1CC1
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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 C22H27N7O2S MW 453.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7O2S/c1-25-18-17(19(30)26(2)22(25)31)29(14-15-6-4-3-5-7-15)20(24-18)27-10-12-28(13-11-27)21(32)23-16-8-9-16/h3-7,16H,8-14H2,1-2H3,(H,23,32)InChIKey
GVYHHKFUTBSXRX-UHFFFAOYSA-NSynonyms
4(7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)Ncyclopropylpiperazine1carbothioamide
4(7benzyl13dimethyl26dioxopurin8yl)Ncyclopropylpiperazine1carbothioamide
8(4((CYCLOPROPYLAMINO)THIOXOMETHYL)PIPERAZINYL)13DIMETHYL7BENZYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=S)NC4CC4)CC5=CC=CC=C5
InChI=1SC22H27N7O2Sc1251817(19(30)26(2)22(25)31)29(14156435715)20(2418)27101228(131127)21(32)23168916h3716H814H212H3(H2332)
MFCD07626860
ZINC000008775354
ZINC08775354
ZINC8775354
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