Vitas-M small molecule compound
8-(2-chlorophenoxy)-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK743123
SMILES Clc1ccccc1Oc1nc2c(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 C21H16ClF3N4O3 MW 464.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClF3N4O3/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,11H2,1-2H3InChIKey
UJFDKNMRLLFERK-UHFFFAOYSA-NSynonyms
8(2CHLOROPHENOXY)13DIMETHYL7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE8(2chlorophenoxy)13dimethyl7(3(trifluoromethyl)benzyl)37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3Cl)CC4=CC(=CC=C4)C(F)(F)F
Registry IDs
MFCD04210115ZINC000001119292
ZINC01119292
ZINC1119292
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