Vitas-M small molecule compound
4-[4-(methylsulfanyl)benzyl]-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Catalog ID
STL130164
SMILES CSc1ccc(cc1)CN1Cc2ccccc2OCC1=O
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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 C17H17NO2S MW 299.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO2S/c1-21-15-8-6-13(7-9-15)10-18-11-14-4-2-3-5-16(14)20-12-17(18)19/h2-9H,10-12H2,1H3InChIKey
NENJKSKTJLUUIF-UHFFFAOYSA-NSynonyms
4((4methylsulfanylphenyl)methyl)5H14benzoxazepin3one
4(4(methylsulfanyl)benzyl)45dihydro14benzoxazepin3(2H)one
4(4(METHYLTHIO)BENZYL)45DIHYDRO14BENZOXAZEPIN3(2H)ONE
CSC1=CC=C(C=C1)CN2CC3=CC=CC=C3OCC2=O
InChI=1SC17H17NO2Sc121158613(7915)10181114423516(14)201217(18)19h29H1012H21H3
MFCD20749596
ZINC000065184340
ZINC65184340
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