Vitas-M small molecule compound
4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-phenylpiperazine-1-carbothioamide
Catalog ID
STK262622
SMILES S=C(N1CCN(CC1)c1nc2c([nH]1)c(=O)n(c(=O)n2C)C)Nc1ccccc1
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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 C18H21N7O2S MW 399.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O2S/c1-22-14-13(15(26)23(2)18(22)27)20-16(21-14)24-8-10-25(11-9-24)17(28)19-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,19,28)(H,20,21)InChIKey
XSCDXHCYSLLOGF-UHFFFAOYSA-NSynonyms
885899-93-413DIMETHYL8(4((PHENYLAMINO)THIOXOMETHYL)PIPERAZINYL)137TRIHYDROPURINE26DIONE
4(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)Nphenylpiperazine1carbothioamide
4(13dimethyl26dioxo7Hpurin8yl)Nphenylpiperazine1carbothioamide
885899934
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4
InChI=1SC18H21N7O2Sc1221413(15(26)23(2)18(22)27)2016(2114)2481025(11924)17(28)19126435712h37H811H212H3(H1928)(H2021)
MFCD07037342
S=C(N1CCN(CC1)c1nc2c((nH)1)c(=O)n(c(=O)n2C)C)Nc1ccccc1
ZINC000004818394
ZINC04818394
ZINC4818394
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