Vitas-M small molecule compound
12,13-diethoxy-10,14b-dihydro-9H-isoquino[2,1-d][1,4]benzoxazepin-7(6H)-one
Catalog ID
STK678341
SMILES CCOc1cc2c(cc1OCC)CCN1C2c2ccccc2OCC1=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 C21H23NO4 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4/c1-3-24-18-11-14-9-10-22-20(23)13-26-17-8-6-5-7-15(17)21(22)16(14)12-19(18)25-4-2/h5-8,11-12,21H,3-4,9-10,13H2,1-2H3InChIKey
OVEPNJPCNRORIA-UHFFFAOYSA-NSynonyms
1213diethoxy1014bdihydro9Hisoquino(21d)(14)benzoxazepin7(6H)one
1213diethoxy1014bdihydro9Hisoquinolino(21d)(14)benzoxazepin7one
CCOC1=C(C=C2C3C4=CC=CC=C4OCC(=O)N3CCC2=C1)OCC
InChI=1SC21H23NO4c13241811149102220(23)132617865715(17)21(22)16(14)1219(18)2542h58111221H3491013H212H3
MFCD03034556
ZINC000001087933
ZINC000001087934
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