Vitas-M small molecule compound

8-(2-fluorophenoxy)-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK228696
SMILES Fc1ccccc1Oc1nc2c(n1Cc1cccc(c1)C(F)(F)F)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 C21H16F4N4O3 MW 448.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F4N4O3/c1-27-17-16(18(30)28(2)20(27)31)29(11-12-6-5-7-13(10-12)21(23,24)25)19(26-17)32-15-9-4-3-8-14(15)22/h3-10H,11H2,1-2H3
InChIKey
HODXAPNMEBMYPT-UHFFFAOYSA-N
Synonyms

8(2FLUOROPHENOXY)13DIMETHYL7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
8(2FLUOROPHENOXY)13DIMETHYL7(3(TRIFLUOROMETHYL)BENZYL)37DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3F)CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC21H16F4N4O3c1271716(18(30)28(2)20(27)31)29(111265713(1012)21(2324)25)19(2617)3215943814(15)22h310H11H212H3
MFCD05858225
ZINC000001429022
ZINC01429022
ZINC1429022

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Available files

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