Vitas-M small molecule compound

(4E)-4-[2-(hexyloxy)benzylidene]-3-(3-nitrophenyl)-1,2-oxazol-5(4H)-one

Catalog ID
STL427101
SMILES CCCCCCOc1ccccc1/C=C\1/C(=O)ON=C1c1cccc(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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-2-3-4-7-13-28-20-12-6-5-9-16(20)15-19-21(23-29-22(19)25)17-10-8-11-18(14-17)24(26)27/h5-6,8-12,14-15H,2-4,7,13H2,1H3/b19-15+
InChIKey
AYWDZKIHXFYSAI-XDJHFCHBSA-N
Synonyms

(4E)4((2hexoxyphenyl)methylidene)3(3nitrophenyl)12oxazol5one
(4E)4(2(hexyloxy)benzylidene)3(3nitrophenyl)12oxazol5(4H)one
CCCCCCOC1=CC=CC=C1C=C2C(=NOC2=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCCCCCOc1ccccc1C=C1C(=O)ON=C1c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H22N2O5c123471328201265916(20)151921(232922(19)25)171081118(1417)24(26)27h568121415H24713H21H3b1915+
MFCD02644620
ZINC000020071749
ZINC20071749

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Available files

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