Vitas-M small molecule compound
8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK585377
SMILES CCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)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 C21H27ClN6O2 MW 430.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN6O2/c1-5-28-17(23-19-18(28)20(29)25(4)21(30)24(19)3)13-26-8-10-27(11-9-26)16-12-15(22)7-6-14(16)2/h6-7,12H,5,8-11,13H2,1-4H3InChIKey
KISVXWYUATUOKR-UHFFFAOYSA-NSynonyms
893945-51-28((4(5chloro2methylphenyl)piperazin1yl)methyl)7ethyl13dimethyl1Hpurine26(3H7H)dione
8((4(5chloro2methylphenyl)piperazin1yl)methyl)7ethyl13dimethyl37dihydro1Hpurine26dione
8((4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)METHYL)7ETHYL13DIMETHYLPURINE26DIONE
8((4(5CHLORO2METHYLPHENYL)PIPERAZINYL)METHYL)7ETHYL13DIMETHYL137TRIHYDROPURINE26DIONE
893945512
CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=C(C=CC(=C4)Cl)C
InChI=1SC21H27ClN6O2c152817(231918(28)20(29)25(4)21(30)24(19)3)132681027(11926)161215(22)7614(16)2h6712H581113H214H3
MFCD06613137
ZINC000057111141
ZINC57111141
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