Vitas-M small molecule compound
8-[(4-chlorobenzyl)amino]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK262515
SMILES Cc1ccc(cc1)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 C22H22ClN5O2 MW 423.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O2/c1-14-4-6-16(7-5-14)13-28-18-19(26(2)22(30)27(3)20(18)29)25-21(28)24-12-15-8-10-17(23)11-9-15/h4-11H,12-13H2,1-3H3,(H,24,25)InChIKey
MZZMBWZRKPQRNG-UHFFFAOYSA-NSynonyms
8(((4CHLOROPHENYL)METHYL)AMINO)13DIMETHYL7((4METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
8((4chlorobenzyl)amino)13dimethyl7(4methylbenzyl)37dihydro1Hpurine26dione
8((4CHLOROPHENYL)METHYLAMINO)13DIMETHYL7((4METHYLPHENYL)METHYL)PURINE26DIONE
CC1=CC=C(C=C1)CN2C3=C(N=C2NCC4=CC=C(C=C4)Cl)N(C(=O)N(C3=O)C)C
InChI=1SC22H22ClN5O2c1144616(7514)13281819(26(2)22(30)27(3)20(18)29)2521(28)24121581017(23)11915h411H1213H213H3(H2425)
MFCD07620985
ZINC000008774831
ZINC08774831
ZINC8774831
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