Vitas-M small molecule compound
8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxopropyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK586152
SMILES CC(=O)Cn1c(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 C22H27ClN6O3 MW 458.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN6O3/c1-14-5-6-16(23)11-17(14)28-9-7-27(8-10-28)13-18-24-20-19(29(18)12-15(2)30)21(31)26(4)22(32)25(20)3/h5-6,11H,7-10,12-13H2,1-4H3InChIKey
JADWAOZRZFRQAR-UHFFFAOYSA-NSynonyms
893946-49-18((4(5chloro2methylphenyl)piperazin1yl)methyl)13dimethyl7(2oxopropyl)1Hpurine26(3H7H)dione
8((4(5chloro2methylphenyl)piperazin1yl)methyl)13dimethyl7(2oxopropyl)37dihydro1Hpurine26dione
8((4(5CHLORO2METHYLPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7(2OXOPROPYL)PURINE26DIONE
8((4(5CHLORO2METHYLPHENYL)PIPERAZINYL)METHYL)13DIMETHYL7(2OXOPROPYL)137TRIHYDROPURINE26DIONE
893946491
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3CC(=O)C)C(=O)N(C(=O)N4C)C
InChI=1SC22H27ClN6O3c1145616(23)1117(14)289727(81028)1318242019(29(18)1215(2)30)21(31)26(4)22(32)25(20)3h5611H7101213H214H3
MFCD06612948
ZINC000057111284
ZINC57111284
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