Vitas-M small molecule compound
2-[(2E)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylideneammonio]propanoate
Catalog ID
STL528528
SMILES [O-]C(=O)C(/[NH+]=C/1\CCCc2c(N1)cccc2)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 C13H16N2O2 MW 232.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O2/c1-9(13(16)17)14-12-8-4-6-10-5-2-3-7-11(10)15-12/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,15)(H,16,17)InChIKey
FQIWRMRKJLCEID-UHFFFAOYSA-NSynonyms
2((2E)1345tetrahydro2H1benzazepin2ylideneammonio)propanoate
2(1345tetrahydro1benzazepin2ylideneazaniumyl)propanoate
3307157
InChI=1SC13H16N2O2c19(13(16)17)141284610523711(10)1512h23579H468H21H3(H1415)(H1617)
MFCD00846262
ZINC000000198143
ZINC000000198147
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