Vitas-M small molecule compound
8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK591163
SMILES CCN1CCN(CC1)c1nc2c(n1CC(c1ccccc1)O)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 C21H28N6O3 MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O3/c1-4-25-10-12-26(13-11-25)20-22-18-17(19(29)24(3)21(30)23(18)2)27(20)14-16(28)15-8-6-5-7-9-15/h5-9,16,28H,4,10-14H2,1-3H3InChIKey
QPTRHMFBJGKSND-UHFFFAOYSA-NSynonyms
850158-39-38(4ethylpiperazin1yl)7(2hydroxy2phenylethyl)13dimethyl1Hpurine26(3H7H)dione
8(4ethylpiperazin1yl)7(2hydroxy2phenylethyl)13dimethyl37dihydro1Hpurine26dione
8(4ETHYLPIPERAZIN1YL)7(2HYDROXY2PHENYLETHYL)13DIMETHYLPURINE26DIONE
850158393
CCN1CCN(CC1)C2=NC3=C(N2CC(C4=CC=CC=C4)O)C(=O)N(C(=O)N3C)C
InChI=1SC21H28N6O3c1425101226(131125)20221817(19(29)24(3)21(30)23(18)2)27(20)1416(28)158657915h591628H41014H213H3
MFCD05689899
ZINC000005896415
ZINC000005896425
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