Vitas-M small molecule compound
4-(4-cyanophenoxy)phenyl 4-nitrobenzoate
Catalog ID
STK388324
SMILES N#Cc1ccc(cc1)Oc1ccc(cc1)OC(=O)c1ccc(cc1)[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 C20H12N2O5 MW 360.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O5/c21-13-14-1-7-17(8-2-14)26-18-9-11-19(12-10-18)27-20(23)15-3-5-16(6-4-15)22(24)25/h1-12HInChIKey
MSRXAYXRRHOZMQ-UHFFFAOYSA-NSynonyms
(4(4CYANOPHENOXY)PHENYL)4NITROBENZOATE
4(4CYANOPHENOXY)PHENYL4NITROBENZOATE
4NITROBENZOICACID4(4CYANOPHENOXY)PHENYLESTER
C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H12N2O5c2113141717(8214)261891119(121018)2720(23)153516(6415)22(24)25h112H
MFCD00355824
N#Cc1ccc(cc1)Oc1ccc(cc1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000000777997
ZINC00777997
ZINC777997
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