Vitas-M small molecule compound
4-(3-fluoro-4-methylphenyl)-9-methoxy-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Catalog ID
STL130298
SMILES COc1cccc2c1OCC(=O)N(C2)c1ccc(c(c1)F)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 C17H16FNO3 MW 301.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16FNO3/c1-11-6-7-13(8-14(11)18)19-9-12-4-3-5-15(21-2)17(12)22-10-16(19)20/h3-8H,9-10H2,1-2H3InChIKey
IGRQZHDAZTYEOH-UHFFFAOYSA-NSynonyms
4(3fluoro4methylphenyl)9methoxy45dihydro14benzoxazepin3(2H)one
4(3fluoro4methylphenyl)9methoxy5H14benzoxazepin3one
CC1=C(C=C(C=C1)N2CC3=C(C(=CC=C3)OC)OCC2=O)F
InChI=1SC17H16FNO3c1116713(814(11)18)1991243515(212)17(12)221016(19)20h38H910H212H3
MFCD20749730
ZINC000065184488
ZINC65184488
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