Vitas-M small molecule compound

1,3-dimethyl-8-(4-methylpiperidin-1-yl)-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK076490
SMILES CC1CCN(CC1)c1nc2c(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 C21H24F3N5O2 MW 435.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24F3N5O2/c1-13-7-9-28(10-8-13)19-25-17-16(18(30)27(3)20(31)26(17)2)29(19)12-14-5-4-6-15(11-14)21(22,23)24/h4-6,11,13H,7-10,12H2,1-3H3
InChIKey
KLXOKHGAAHMQPD-UHFFFAOYSA-N
Synonyms

13DIMETHYL8(4METHYLPIPERIDIN1YL)7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
13DIMETHYL8(4METHYLPIPERIDIN1YL)7(3(TRIFLUOROMETHYL)BENZYL)37DIHYDRO1HPURINE26DIONE
CC1CCN(CC1)c1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)C
CC1CCN(CC1)C2=NC3=C(N2CC4=CC(=CC=C4)C(F)(F)F)C(=O)N(C(=O)N3C)C
InChI=1SC21H24F3N5O2c1137928(10813)19251716(18(30)27(3)20(31)26(17)2)29(19)121454615(1114)21(2223)24h461113H71012H213H3
MFCD05819706
STK076490
ZINC000009635793
ZINC09635793
ZINC9635793

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.