Vitas-M small molecule compound

{[(4E)-6,7-dihydro-2,1,3-benzoxadiazol-4(5H)-ylideneamino]oxy}(4-methoxyphenyl)methanone

Catalog ID
STK760661
SMILES COc1ccc(cc1)C(=O)O/N=C/1\CCCc2c1non2

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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 C14H13N3O4 MW 287.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O4/c1-19-10-7-5-9(6-8-10)14(18)20-15-11-3-2-4-12-13(11)17-21-16-12/h5-8H,2-4H2,1H3/b15-11+
InChIKey
QWCFDEKAWOHARH-RVDMUPIBSA-N
Synonyms

(((4E)67dihydro213benzoxadiazol4(5H)ylideneamino)oxy)(4methoxyphenyl)methanone
((E)67DIHYDRO5H213BENZOXADIAZOL4YLIDENEAMINO)4METHOXYBENZOATE
67DIHYDRO213BENZOXADIAZOL4(5H)ONEO(4METHOXYBENZOYL)OXIME
COC1=CC=C(C=C1)C(=O)ON=C2CCCC3=NON=C32
COc1ccc(cc1)C(=O)ON=C1CCCc2c1non2
InChI=1SC14H13N3O4c11910759(6810)14(18)2015113241213(11)17211612h58H24H21H3b1511+
MFCD01617768
ZINC000000052799
ZINC13115077

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Available files

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