Vitas-M small molecule compound

3-methyl-8-nitro-7-pentyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK528400
SMILES CCCCCn1c(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 C11H15N5O4 MW 281.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H15N5O4/c1-3-4-5-6-15-7-8(12-10(15)16(19)20)14(2)11(18)13-9(7)17/h3-6H2,1-2H3,(H,13,17,18)
InChIKey
WDXNVWIBWQNBGU-UHFFFAOYSA-N
Synonyms

203451405
3methyl8nitro7pentyl1Hpurine26(3H7H)dione
3methyl8nitro7pentyl37dihydro1Hpurine26dione
3METHYL8NITRO7PENTYLPURINE26DIONE
CCCCCn1c(nc2c1c(=O)(nH)c(=O)n2C)(N+)(=O)(O)
CCCCCN1C2=C(N=C1(N+)(=O)(O))N(C(=O)NC2=O)C
InChI=1SC11H15N5O4c134561578(1210(15)16(19)20)14(2)11(18)139(7)17h36H212H3(H131718)
MFCD00616604
ZINC000001839630
ZINC01839630
ZINC1839630

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Available files

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