Vitas-M small molecule compound

7-(4-chlorobenzyl)-1,3-dimethyl-8-[3-(trifluoromethyl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK228697
SMILES Clc1ccc(cc1)Cn1c(Oc2cccc(c2)C(F)(F)F)nc2c1c(=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(11-12-6-8-14(22)9-7-12)19(26-17)32-15-5-3-4-13(10-15)21(23,24)25/h3-10H,11H2,1-2H3
InChIKey
DPGYNTYRFXUJIX-UHFFFAOYSA-N
Synonyms

7((4CHLOROPHENYL)METHYL)13DIMETHYL8(3(TRIFLUOROMETHYL)PHENOXY)PURINE26DIONE
7(4CHLOROBENZYL)13DIMETHYL8(3(TRIFLUOROMETHYL)PHENOXY)37DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)C(F)(F)F)CC4=CC=C(C=C4)Cl
InChI=1SC21H16ClF3N4O3c1271716(18(30)28(2)20(27)31)29(11126814(22)9712)19(2617)321553413(1015)21(2324)25h310H11H212H3
MFCD06002594
ZINC000001078808
ZINC01078808
ZINC1078808

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Available files

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