Vitas-M small molecule compound

7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-[(2-phenylethyl)amino]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840557
SMILES COc1ccc(cc1)OCC(Cn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)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 C25H29N5O5 MW 479.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O5/c1-28-22-21(23(32)29(2)25(28)33)30(24(27-22)26-14-13-17-7-5-4-6-8-17)15-18(31)16-35-20-11-9-19(34-3)10-12-20/h4-12,18,31H,13-16H2,1-3H3,(H,26,27)
InChIKey
KJWBSRIBHBTYRL-UHFFFAOYSA-N
Synonyms
333755-37-6
333755376
7(2HYDROXY3(4METHOXYPHENOXY)PROPYL)13DIMETHYL8((2PHENYLETHYL)AMINO)137TRIHYDROPURINE26DIONE
7(2hydroxy3(4methoxyphenoxy)propyl)13dimethyl8((2phenylethyl)amino)37dihydro1Hpurine26dione
7(2hydroxy3(4methoxyphenoxy)propyl)13dimethyl8(2phenylethylamino)purine26dione
7(2HYDROXY3(4METHOXYPHENOXY)PROPYL)13DIMETHYL8(PHENETHYLAMINO)1HPURINE26(3H7H)DIONE
7(2HYDROXY3(4METHOXYPHENOXY)PROPYL)13DIMETHYL8(PHENETHYLAMINO)PURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)OC)O
InChI=1SC25H29N5O5c1282221(23(32)29(2)25(28)33)30(24(2722)261413177546817)1518(31)16352011919(343)101220h4121831H1316H213H3(H2627)
MFCD02579140
ZINC000000629922
ZINC000000629927

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.