Vitas-M small molecule compound
4-[(2E)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylideneammonio]butanoate
Catalog ID
STL514335
SMILES [O-]C(=O)CCC/[NH+]=C/1\CCCc2c(N1)cccc2
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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 C14H18N2O2 MW 246.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O2/c17-14(18)9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)16-13/h1-2,5,7H,3-4,6,8-10H2,(H,15,16)(H,17,18)InChIKey
CWCMOJCXPIFZMG-UHFFFAOYSA-NSynonyms
413610-71-61636054
4((2E)1345tetrahydro2H1benzazepin2ylideneammonio)butanoate
4(1345tetrahydro1benzazepin2ylideneazaniumyl)butanoate
413610716
InChI=1SC14H18N2O2c1714(18)9410151383611512712(11)1613h1257H346810H2(H1516)(H1718)
MFCD04144499
ZINC000001901154
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