Vitas-M small molecule compound

2-ammonio-2-benzyl-4-phosphonobutanoate

Catalog ID
STL528346
SMILES [O-]C(=O)C(Cc1ccccc1)(CCP(=O)(O)O)[NH3+]

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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 C11H16NO5P MW 273.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H16NO5P/c12-11(10(13)14,6-7-18(15,16)17)8-9-4-2-1-3-5-9/h1-5H,6-8,12H2,(H,13,14)(H2,15,16,17)
InChIKey
ISDPXZKXSZVIEF-UHFFFAOYSA-N
Synonyms
370842-04-9
2ammonio2benzyl4phosphonobutanoate
2AZANIUMYL2BENZYL4PHOSPHONOBUTANOATE
370842049
4270228
InChI=1SC11H16NO5Pc1211(10(13)146718(1516)17)89421359h15H6812H2(H1314)(H2151617)
MFCD02926153
ZINC000020112460
ZINC000020112462

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Available files

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