Vitas-M small molecule compound

7-(4-fluorobenzyl)-1,3-dimethyl-8-[(2-methylpropyl)amino]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK097595
SMILES CC(CNc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C)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 C18H22FN5O2 MW 359.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22FN5O2/c1-11(2)9-20-17-21-15-14(16(25)23(4)18(26)22(15)3)24(17)10-12-5-7-13(19)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,20,21)
InChIKey
NLEPCOFTGCCNTN-UHFFFAOYSA-N
Synonyms
317841-69-3
317841693
7((4FLUOROPHENYL)METHYL)13DIMETHYL8((2METHYLPROPYL)AMINO)137TRIHYDROPURINE26DIONE
7((4FLUOROPHENYL)METHYL)13DIMETHYL8(2METHYLPROPYLAMINO)PURINE26DIONE
7(4FLUOROBENZYL)13DIMETHYL8((2METHYLPROPYL)AMINO)37DIHYDRO1HPURINE26DIONE
7(4fluorobenzyl)8(isobutylamino)13dimethyl1Hpurine26(3H7H)dione
7(4FLUOROBENZYL)8(ISOBUTYLAMINO)13DIMETHYL37DIHYDRO1HPURINE26DIONE
7(4FLUOROBENZYL)8ISOBUTYLAMINO13DIMETHYL37DIHYDROPURINE26DIONE
CC(C)CNC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C
CC(CNc1nc2c(n1Cc1ccc(cc1)F)c(=O)n(c(=O)n2C)C)C
InChI=1SC18H22FN5O2c111(2)92017211514(16(25)23(4)18(26)22(15)3)24(17)10125713(19)8612h5811H910H214H3(H2021)
MFCD01556283
STK097595
ZINC000000838119
ZINC00838119
ZINC838119

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Available files

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