Vitas-M small molecule compound
4-(2-chloro-4-fluorobenzyl)-9-ethoxy-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Catalog ID
STL130331
SMILES CCOc1cccc2c1OCC(=O)N(C2)Cc1ccc(cc1Cl)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 C18H17ClFNO3 MW 349.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClFNO3/c1-2-23-16-5-3-4-13-10-21(17(22)11-24-18(13)16)9-12-6-7-14(20)8-15(12)19/h3-8H,2,9-11H2,1H3InChIKey
KWIVSENRWKVKIO-UHFFFAOYSA-NSynonyms
4((2chloro4fluorophenyl)methyl)9ethoxy5H14benzoxazepin3one
4(2chloro4fluorobenzyl)9ethoxy45dihydro14benzoxazepin3(2H)one
CCOC1=CC=CC2=C1OCC(=O)N(C2)CC3=C(C=C(C=C3)F)Cl
InChI=1SC18H17ClFNO3c122316534131021(17(22)112418(13)16)9126714(20)815(12)19h38H2911H21H3
MFCD20749763
ZINC000065184520
ZINC65184520
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