Vitas-M small molecule compound
7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK555575
SMILES COc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCN(CC1)c1ccccc1)O
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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 C27H32N6O5 MW 520.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N6O5/c1-29-24-23(25(35)30(2)27(29)36)33(17-20(34)18-38-22-11-9-21(37-3)10-12-22)26(28-24)32-15-13-31(14-16-32)19-7-5-4-6-8-19/h4-12,20,34H,13-18H2,1-3H3InChIKey
QHHGLEGYJAHVKF-UHFFFAOYSA-NSynonyms
536719-30-9536719309
7(2hydroxy3(4methoxyphenoxy)propyl)13dimethyl8(4phenylpiperazin1yl)1Hpurine26(3H7H)dione
7(2hydroxy3(4methoxyphenoxy)propyl)13dimethyl8(4phenylpiperazin1yl)37dihydro1Hpurine26dione
7(2HYDROXY3(4METHOXYPHENOXY)PROPYL)13DIMETHYL8(4PHENYLPIPERAZIN1YL)PURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC(COC5=CC=C(C=C5)OC)O
InChI=1SC27H32N6O5c1292423(25(35)30(2)27(29)36)33(1720(34)18382211921(373)101222)26(2824)32151331(141632)197546819h4122034H1318H213H3
MFCD03417524
ZINC000000634877
ZINC000005356798
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