Vitas-M small molecule compound
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK541353
SMILES CN1CCN(CC1)c1nc2c(n1CC(COc1ccc(cc1)Cl)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 C21H27ClN6O4 MW 462.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN6O4/c1-24-8-10-27(11-9-24)20-23-18-17(19(30)26(3)21(31)25(18)2)28(20)12-15(29)13-32-16-6-4-14(22)5-7-16/h4-7,15,29H,8-13H2,1-3H3InChIKey
ROHPMGMNCCSHEY-UHFFFAOYSA-NSynonyms
333305-43-4333305434
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)13DIMETHYL8(4METHYLPIPERAZIN1YL)1HPURINE26(3H7H)DIONE
7(3(4chlorophenoxy)2hydroxypropyl)13dimethyl8(4methylpiperazin1yl)37dihydro1Hpurine26dione
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)13DIMETHYL8(4METHYLPIPERAZIN1YL)PURINE26DIONE
CN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=C(C=C4)Cl)O)C(=O)N(C(=O)N3C)C
InChI=1SC21H27ClN6O4c12481027(11924)20231817(19(30)26(3)21(31)25(18)2)28(20)1215(29)1332166414(22)5716h471529H813H213H3
MFCD02227286
ZINC000005360103
ZINC000005360107
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