Vitas-M small molecule compound

7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(cyclohexylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840403
SMILES OC(Cn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

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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 C21H26ClN5O4 MW 447.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN5O4/c1-26-18-17(19(29)25-21(26)30)27(20(24-18)23-14-5-3-2-4-6-14)11-15(28)12-31-16-9-7-13(22)8-10-16/h7-10,14-15,28H,2-6,11-12H2,1H3,(H,23,24)(H,25,29,30)
InChIKey
AQJQFNLHJHPWQB-UHFFFAOYSA-N
Synonyms

7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)8(CYCLOHEXYLAMINO)3METHYL137TRIHYDROPURINE26DIONE
7(3(4chlorophenoxy)2hydroxypropyl)8(cyclohexylamino)3methyl1Hpurine26(3H7H)dione
7(3(4chlorophenoxy)2hydroxypropyl)8(cyclohexylamino)3methyl37dihydro1Hpurine26dione
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)8(CYCLOHEXYLAMINO)3METHYLPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(COC4=CC=C(C=C4)Cl)O
InChI=1SC21H26ClN5O4c1261817(19(29)2521(26)30)27(20(2418)23145324614)1115(28)1231169713(22)81016h710141528H261112H21H3(H2324)(H252930)
MFCD02231640
OC(Cn1c(NC2CCCCC2)nc2c1c(=O)(nH)c(=O)n2C)COc1ccc(cc1)Cl
ZINC000000625905
ZINC000000625908

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Available files

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