Vitas-M small molecule compound
1,3-dimethyl-7-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK238148
SMILES O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)CCn1cnc2c1c(=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 C21H23F3N6O3 MW 464.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F3N6O3/c1-26-18-17(19(32)27(2)20(26)33)30(13-25-18)7-6-16(31)29-10-8-28(9-11-29)15-5-3-4-14(12-15)21(22,23)24/h3-5,12-13H,6-11H2,1-2H3InChIKey
KITFQRSBBLGFRX-UHFFFAOYSA-NSynonyms
887684-41-513dimethyl7(3oxo3(4(3(trifluoromethyl)phenyl)piperazin1yl)propyl)37dihydro1Hpurine26dione
13DIMETHYL7(3OXO3(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PROPYL)PURINE26DIONE
13DIMETHYL7(3OXO3(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)PROPYL)137TRIHYDROPURINE26DIONE
887684415
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC21H23F3N6O3c1261817(19(32)27(2)20(26)33)30(132518)7616(31)2910828(91129)1553414(1215)21(2223)24h351213H611H212H3
MFCD07398063
ZINC000009191534
ZINC09191534
ZINC9191534
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