Vitas-M small molecule compound

1,3-dimethyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK065794
SMILES O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)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 C20H21F3N6O3 MW 450.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21F3N6O3/c1-25-17-16(18(31)26(2)19(25)32)29(12-24-17)11-15(30)28-8-6-27(7-9-28)14-5-3-4-13(10-14)20(21,22)23/h3-5,10,12H,6-9,11H2,1-2H3
InChIKey
XDLRMKBPWTXJKP-UHFFFAOYSA-N
Synonyms
432531-11-8
13DIMETHYL7(2OXO2(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)ETHYL)37DIHYDRO1HPURINE26DIONE
13dimethyl7(2oxo2(4(3(trifluoromethyl)phenyl)piperazin1yl)ethyl)purine26dione
13DIMETHYL7(2OXO2(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)ETHYL)137TRIHYDROPURINE26DIONE
432531118
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC20H21F3N6O3c1251716(18(31)26(2)19(25)32)29(122417)1115(30)288627(7928)1453413(1014)20(2122)23h351012H6911H212H3
MFCD03119555
O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)Cn1cnc2c1c(=O)n(C)c(=O)n2C
STK065794
ZINC000000917424
ZINC00917424
ZINC917424

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Available files

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