Vitas-M small molecule compound

4-chloro-N-(2-cyano-4,5-diethoxyphenyl)-3-nitrobenzamide

Catalog ID
STK773777
SMILES CCOc1cc(NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)c(cc1OCC)C#N

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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 C18H16ClN3O5 MW 389.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O5/c1-3-26-16-8-12(10-20)14(9-17(16)27-4-2)21-18(23)11-5-6-13(19)15(7-11)22(24)25/h5-9H,3-4H2,1-2H3,(H,21,23)
InChIKey
AZFHRHQTCMSMRN-UHFFFAOYSA-N
Synonyms

4chloroN(2cyano45diethoxyphenyl)3nitrobenzamide
CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))OCC
CCOc1cc(NC(=O)c2ccc(c(c2)(N+)(=O)(O))Cl)c(cc1OCC)C#N
InChI=1SC18H16ClN3O5c132616812(1020)14(917(16)2742)2118(23)115613(19)15(711)22(24)25h59H34H212H3(H2123)
MFCD03855614
ZINC000001080809
ZINC01080809
ZINC1080809

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Available files

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