Vitas-M small molecule compound
4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-cyclopentylpiperazine-1-carbothioamide
Catalog ID
STK262724
SMILES S=C(N1CCN(CC1)c1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C)NC1CCCC1
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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 C24H31N7O2S MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N7O2S/c1-27-20-19(21(32)28(2)24(27)33)31(16-17-8-4-3-5-9-17)22(26-20)29-12-14-30(15-13-29)23(34)25-18-10-6-7-11-18/h3-5,8-9,18H,6-7,10-16H2,1-2H3,(H,25,34)InChIKey
ZWQRZYSOXDJZPV-UHFFFAOYSA-NSynonyms
4(7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)Ncyclopentylpiperazine1carbothioamide
4(7benzyl13dimethyl26dioxopurin8yl)Ncyclopentylpiperazine1carbothioamide
8(4((CYCLOPENTYLAMINO)THIOXOMETHYL)PIPERAZINYL)13DIMETHYL7BENZYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C(=S)NC4CCCC4)CC5=CC=CC=C5
InChI=1SC24H31N7O2Sc1272019(21(32)28(2)24(27)33)31(16178435917)22(2620)29121430(151329)23(34)251810671118h358918H671016H212H3(H2534)
MFCD07626858
ZINC000008775343
ZINC08775343
ZINC8775343
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