Vitas-M small molecule compound

7-(2-chlorobenzyl)-8-[(2,2-dimethoxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK262599
SMILES COC(CNc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C)OC

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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 C18H22ClN5O4 MW 407.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClN5O4/c1-22-15-14(16(25)23(2)18(22)26)24(10-11-7-5-6-8-12(11)19)17(21-15)20-9-13(27-3)28-4/h5-8,13H,9-10H2,1-4H3,(H,20,21)
InChIKey
LGQANHRDMAHYLU-UHFFFAOYSA-N
Synonyms

7((2CHLOROPHENYL)METHYL)8(22DIMETHOXYETHYLAMINO)13DIMETHYLPURINE26DIONE
7(2chlorobenzyl)8((22dimethoxyethyl)amino)13dimethyl37dihydro1Hpurine26dione
8((22DIMETHOXYETHYL)AMINO)7((2CHLOROPHENYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(OC)OC)CC3=CC=CC=C3Cl
InChI=1SC18H22ClN5O4c1221514(16(25)23(2)18(22)26)24(1011756812(11)19)17(2115)20913(273)284h5813H910H214H3(H2021)
MFCD07621026
ZINC000004818341
ZINC04818341
ZINC4818341

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Available files

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