Vitas-M small molecule compound

8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK595441
SMILES Clc1cccc(c1)N1CCN(CC1)Cc1nc2c(n1CCc1ccccc1)c(=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 C26H29ClN6O2 MW 493.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN6O2/c1-29-24-23(25(34)30(2)26(29)35)33(12-11-19-7-4-3-5-8-19)22(28-24)18-31-13-15-32(16-14-31)21-10-6-9-20(27)17-21/h3-10,17H,11-16,18H2,1-2H3
InChIKey
JYQNFQXKXIGFQC-UHFFFAOYSA-N
Synonyms
851943-36-7
8((4(3chlorophenyl)piperazin1yl)methyl)13dimethyl7(2phenylethyl)37dihydro1Hpurine26dione
8((4(3chlorophenyl)piperazin1yl)methyl)13dimethyl7(2phenylethyl)purine26dione
8((4(3chlorophenyl)piperazin1yl)methyl)13dimethyl7phenethyl1Hpurine26(3H7H)dione
8((4(3CHLOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYL7PHENETHYLPURINE26DIONE
8((4(3CHLOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL7(2PHENYLETHYL)137TRIHYDROPURINE26DIONE
851943367
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)CCC5=CC=CC=C5
InChI=1SC26H29ClN6O2c1292423(25(34)30(2)26(29)35)33(1211197435819)22(2824)1831131532(161431)21106920(27)1721h31017H111618H212H3
MFCD04466756
ZINC000057122075
ZINC57122075

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Available files

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