Vitas-M small molecule compound
1,3-dimethyl-8-(piperidin-1-yl)-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK088893
SMILES Cn1c(=O)n(C)c2c(c1=O)n(Cc1cccc(c1)C(F)(F)F)c(n2)N1CCCCC1
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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 C20H22F3N5O2 MW 421.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22F3N5O2/c1-25-16-15(17(29)26(2)19(25)30)28(18(24-16)27-9-4-3-5-10-27)12-13-7-6-8-14(11-13)20(21,22)23/h6-8,11H,3-5,9-10,12H2,1-2H3InChIKey
QTCCJEAJUQPURN-UHFFFAOYSA-NSynonyms
13DIMETHYL8(PIPERIDIN1YL)7(3(TRIFLUOROMETHYL)BENZYL)37DIHYDRO1HPURINE26DIONE
13DIMETHYL8PIPERIDIN1YL7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
Cn1c(=O)n(C)c2c(c1=O)n(Cc1cccc(c1)C(F)(F)F)c(n2)N1CCCCC1
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC20H22F3N5O2c1251615(17(29)26(2)19(25)30)28(18(2416)2794351027)121376814(1113)20(2122)23h6811H3591012H212H3
MFCD01555090
STK088893
ZINC000004663877
ZINC04663877
ZINC4663877
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