Vitas-M small molecule compound

8-[(1,3-benzodioxol-5-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK697877
SMILES O=c1n(C)c2nc(n(c2c(=O)n1C)Cc1cccc(c1)C(F)(F)F)NCc1ccc2c(c1)OCO2

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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 C23H20F3N5O4 MW 487.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3N5O4/c1-29-19-18(20(32)30(2)22(29)33)31(11-14-4-3-5-15(8-14)23(24,25)26)21(28-19)27-10-13-6-7-16-17(9-13)35-12-34-16/h3-9H,10-12H2,1-2H3,(H,27,28)
InChIKey
CYFWHCMMTSYKFR-UHFFFAOYSA-N
Synonyms
317843-50-8
317843508
8((13benzodioxol5ylmethyl)amino)13dimethyl7(3(trifluoromethyl)benzyl)37dihydro1Hpurine26dione
8((benzo(d)(13)dioxol5ylmethyl)amino)13dimethyl7(3(trifluoromethyl)benzyl)1Hpurine26(3H7H)dione
8(13BENZODIOXOL5YLMETHYLAMINO)13DIMETHYL7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC(=CC=C5)C(F)(F)F
InChI=1SC23H20F3N5O4c1291918(20(32)30(2)22(29)33)31(111443515(814)23(2425)26)21(2819)271013671617(913)35123416h39H1012H212H3(H2728)
MFCD01556441
ZINC000008934243
ZINC08934243
ZINC8934243

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Available files

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