Vitas-M small molecule compound
8-[(4-chlorobenzyl)amino]-7-(3-methoxybenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK098796
SMILES COc1cccc(c1)Cn1c(NCc2ccc(cc2)Cl)nc2c1c(=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 C22H22ClN5O3 MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O3/c1-26-19-18(20(29)27(2)22(26)30)28(13-15-5-4-6-17(11-15)31-3)21(25-19)24-12-14-7-9-16(23)10-8-14/h4-11H,12-13H2,1-3H3,(H,24,25)InChIKey
WFYSVNLWDLFZJO-UHFFFAOYSA-NSynonyms
8((4CHLOROBENZYL)AMINO)7(3METHOXYBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8((4CHLOROPHENYL)METHYLAMINO)7((3METHOXYPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)OC
COc1cccc(c1)Cn1c(NCc2ccc(cc2)Cl)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC22H22ClN5O3c1261918(20(29)27(2)22(26)30)28(131554617(1115)313)21(2519)2412147916(23)10814h411H1213H213H3(H2425)
MFCD01929509
STK098796
ZINC000009886113
ZINC09886113
ZINC9886113
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