Vitas-M small molecule compound

1,3-dimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK083411
SMILES O=C(N1CCN(CC1)c1ccccc1)Cn1cnc2c1c(=O)n(C)c(=O)n2C

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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 C19H22N6O3 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N6O3/c1-21-17-16(18(27)22(2)19(21)28)25(13-20-17)12-15(26)24-10-8-23(9-11-24)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKey
HRGBXQKMZDVYFK-UHFFFAOYSA-N
Synonyms
349400-56-2
13DIMETHYL7(2OXO2(4PHENYL1PIPERAZINYL)ETHYL)37DIHYDRO1HPURINE26DIONE
13dimethyl7(2oxo2(4phenylpiperazin1yl)ethyl)1Hpurine26(3H7H)dione
13DIMETHYL7(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)37DIHYDRO1HPURINE26DIONE
13DIMETHYL7(2OXO2(4PHENYLPIPERAZIN1YL)ETHYL)PURINE26DIONE
13DIMETHYL7(2OXO2(4PHENYLPIPERAZINYL)ETHYL)137TRIHYDROPURINE26DIONE
349400562
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC19H22N6O3c1211716(18(27)22(2)19(21)28)25(132017)1215(26)2410823(91124)146435714h3713H812H212H3
MFCD02211216
O=C(N1CCN(CC1)c1ccccc1)Cn1cnc2c1c(=O)n(C)c(=O)n2C
STK083411
ZINC000000851784
ZINC00851784
ZINC851784

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.