Vitas-M small molecule compound

ethyl 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonyl)amino]benzoate

Catalog ID
STL019317
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1ccc2c(c1)OCCCO2

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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 C19H19NO5 MW 341.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO5/c1-2-23-19(22)13-4-7-15(8-5-13)20-18(21)14-6-9-16-17(12-14)25-11-3-10-24-16/h4-9,12H,2-3,10-11H2,1H3,(H,20,21)
InChIKey
YRZWCCHMDJRSGN-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3
ethyl4((34dihydro2H15benzodioxepin7ylcarbonyl)amino)benzoate
ETHYL4(2H3H4HBENZO(B)14DIOXEPAN7YLCARBONYLAMINO)BENZOATE
ETHYL4(34DIHYDRO2H15BENZODIOXEPINE7CARBONYLAMINO)BENZOATE
InChI=1SC19H19NO5c122319(22)134715(8513)2018(21)14691617(1214)25113102416h4912H231011H21H3(H2021)
MFCD07360702
ZINC000004857214
ZINC04857214
ZINC4857214

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.