Vitas-M small molecule compound

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

Catalog ID
STL296040
SMILES Cc1ccc(cc1)CNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1F

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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 C22H22FN5O2 MW 407.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN5O2/c1-14-8-10-15(11-9-14)12-24-21-25-19-18(26(21)2)20(29)28(22(30)27(19)3)13-16-6-4-5-7-17(16)23/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey
ATLSMRDPSLTLDW-UHFFFAOYSA-N
Synonyms
305863-30-3
1((2FLUOROPHENYL)METHYL)37DIMETHYL8((4METHYLPHENYL)METHYLAMINO)PURINE26DIONE
1(2fluorobenzyl)37dimethyl8((4methylbenzyl)amino)1Hpurine26(3H7H)dione
1(2fluorobenzyl)37dimethyl8((4methylbenzyl)amino)37dihydro1Hpurine26dione
305863303
CC1=CC=C(C=C1)CNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4F
InChI=1SC22H22FN5O2c11481015(11914)122421251918(26(21)2)20(29)28(22(30)27(19)3)1316645717(16)23h411H1213H213H3(H2425)
MFCD01553705
ZINC000013512133
ZINC13512133

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Available files

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