Vitas-M small molecule compound

7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK839841
SMILES Fc1ccc(cc1)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)[N+](=O)[O-]

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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 C13H10FN5O4 MW 319.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10FN5O4/c1-17-10-9(11(20)16-13(17)21)18(12(15-10)19(22)23)6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3,(H,16,20,21)
InChIKey
FBBGTPGPSBVJBS-UHFFFAOYSA-N
Synonyms
333752-42-4
333752424
7((4FLUOROPHENYL)METHYL)3METHYL8NITROPURINE26DIONE
7(4fluorobenzyl)3methyl8nitro1Hpurine26(3H7H)dione
7(4fluorobenzyl)3methyl8nitro37dihydro1Hpurine26dione
7(4FLUOROBENZYL)3METHYL8NITRO37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)(N+)(=O)(O))CC3=CC=C(C=C3)F
Fc1ccc(cc1)Cn1c(nc2c1c(=O)(nH)c(=O)n2C)(N+)(=O)(O)
InChI=1SC13H10FN5O4c117109(11(20)1613(17)21)18(12(1510)19(22)23)67248(14)537h25H6H21H3(H162021)
MFCD02579110
ZINC000000193578
ZINC00193578
ZINC193578

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Available files

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