Vitas-M small molecule compound
(2E)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3-phenylprop-2-enamide
Catalog ID
STL430211
SMILES COc1cc2OCCCOc2cc1CNC(=O)/C=C/c1ccccc1
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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 C20H21NO4 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4/c1-23-17-13-19-18(24-10-5-11-25-19)12-16(17)14-21-20(22)9-8-15-6-3-2-4-7-15/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H,21,22)/b9-8+InChIKey
PIMGAQWMRVHGGW-CMDGGOBGSA-NSynonyms
(2E)N((8methoxy34dihydro2H15benzodioxepin7yl)methyl)3phenylprop2enamide
(E)N((7methoxy34dihydro2H15benzodioxepin8yl)methyl)3phenylprop2enamide
COC1=CC2=C(C=C1CNC(=O)C=CC3=CC=CC=C3)OCCCO2
COc1cc2OCCCOc2cc1CNC(=O)C=Cc1ccccc1
InChI=1SC20H21NO4c12317131918(24105112519)1216(17)142120(22)98156324715h24691213H5101114H21H3(H2122)b98+
MFCD27220879
ZINC000064986970
ZINC64986970
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