Vitas-M small molecule compound
7-benzyl-3-methyl-1-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK765485
SMILES Cn1c(=O)n(Cc2cccc(c2)C(F)(F)F)c(=O)c2c1ncn2Cc1ccccc1
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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 C21H17F3N4O2 MW 414.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N4O2/c1-26-18-17(27(13-25-18)11-14-6-3-2-4-7-14)19(29)28(20(26)30)12-15-8-5-9-16(10-15)21(22,23)24/h2-10,13H,11-12H2,1H3InChIKey
JLGIWOHNZXNFHN-UHFFFAOYSA-NSynonyms
3METHYL7BENZYL1((3(TRIFLUOROMETHYL)PHENYL)METHYL)137TRIHYDROPURINE26DIONE
7BENZYL3METHYL1((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
7benzyl3methyl1(3(trifluoromethyl)benzyl)37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)C(F)(F)F)N(C=N2)CC4=CC=CC=C4
InChI=1SC21H17F3N4O2c1261817(27(132518)11146324714)19(29)28(20(26)30)121585916(1015)21(2223)24h21013H1112H21H3
MFCD02933737
ZINC000004284922
ZINC04284922
ZINC4284922
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