Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 3-(3,4-dicyanophenoxy)benzoate

Catalog ID
STK388592
SMILES N#Cc1cc(ccc1C#N)Oc1cccc(c1)C(=O)OCC(=O)c1cccc(c1)[N+](=O)[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 C23H13N3O6 MW 427.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13N3O6/c24-12-17-7-8-21(11-18(17)13-25)32-20-6-2-4-16(10-20)23(28)31-14-22(27)15-3-1-5-19(9-15)26(29)30/h1-11H,14H2
InChIKey
XIOUVMHIFCSMHA-UHFFFAOYSA-N
Synonyms
354533-63-4
(2(3NITROPHENYL)2OXOETHYL)3(34DICYANOPHENOXY)BENZOATE
2(3nitrophenyl)2oxoethyl3(34dicyanophenoxy)benzoate
354533634
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC(=C(C=C3)C#N)C#N
InChI=1SC23H13N3O6c2412177821(1118(17)1325)322062416(1020)23(28)311422(27)1531519(915)26(29)30h111H14H2
MFCD01798200
N#Cc1cc(ccc1C#N)Oc1cccc(c1)C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000001313028
ZINC01313028
ZINC1313028

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Available files

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