Vitas-M small molecule compound
9-methoxy-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Catalog ID
STL130296
SMILES COc1cccc2c1OCC(=O)N(C2)c1ccc(cc1)C(F)(F)F
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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 C17H14F3NO3 MW 337.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F3NO3/c1-23-14-4-2-3-11-9-21(15(22)10-24-16(11)14)13-7-5-12(6-8-13)17(18,19)20/h2-8H,9-10H2,1H3InChIKey
OJQWGFVZRNVTJX-UHFFFAOYSA-NSynonyms
9methoxy4(4(trifluoromethyl)phenyl)45dihydro14benzoxazepin3(2H)one
9methoxy4(4(trifluoromethyl)phenyl)5H14benzoxazepin3one
COC1=CC=CC2=C1OCC(=O)N(C2)C3=CC=C(C=C3)C(F)(F)F
InChI=1SC17H14F3NO3c1231442311921(15(22)102416(11)14)137512(6813)17(1819)20h28H910H21H3
MFCD20749728
ZINC000067323819
ZINC67323819
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