Vitas-M small molecule compound
3-(9-ethoxy-3-oxo-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)benzonitrile
Catalog ID
STL130313
SMILES CCOc1cccc2c1OCC(=O)N(C2)c1cccc(c1)C#N
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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 C18H16N2O3 MW 308.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O3/c1-2-22-16-8-4-6-14-11-20(17(21)12-23-18(14)16)15-7-3-5-13(9-15)10-19/h3-9H,2,11-12H2,1H3InChIKey
FGQWOCAMKDBOIH-UHFFFAOYSA-NSynonyms
3(9ethoxy3oxo23dihydro14benzoxazepin4(5H)yl)benzonitrile
3(9ethoxy3oxo5H14benzoxazepin4yl)benzonitrile
CCOC1=CC=CC2=C1OCC(=O)N(C2)C3=CC=CC(=C3)C#N
InChI=1SC18H16N2O3c122216846141120(17(21)122318(14)16)1573513(915)1019h39H21112H21H3
MFCD20749745
ZINC000067323828
ZINC67323828
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