Vitas-M small molecule compound
4-(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-ethylpiperazine-1-carbothioamide
Catalog ID
STL482268
SMILES CCNC(=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 C21H27N7O2S MW 441.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N7O2S/c1-4-22-20(31)27-12-10-26(11-13-27)19-23-17-16(18(29)25(3)21(30)24(17)2)28(19)14-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3,(H,22,31)InChIKey
LIEZNCVWAMVHHC-UHFFFAOYSA-NSynonyms
4(7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)Nethylpiperazine1carbothioamide
4(7benzyl13dimethyl26dioxopurin8yl)Nethylpiperazine1carbothioamide
8(4((ETHYLAMINO)THIOXOMETHYL)PIPERAZINYL)13DIMETHYL7BENZYL137TRIHYDROPURINE26DIONE
CCNC(=S)N1CCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C
InChI=1SC21H27N7O2Sc142220(31)27121026(111327)19231716(18(29)25(3)21(30)24(17)2)28(19)14158657915h59H41014H213H3(H2231)
MFCD07626863
ZINC000008775362
ZINC08775362
ZINC8775362
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