Vitas-M small molecule compound
(4E)-4-[4-(hexyloxy)benzylidene]-3-(3-nitrophenyl)-1,2-oxazol-5(4H)-one
Catalog ID
STL427105
SMILES CCCCCCOc1ccc(cc1)/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/c1-2-3-4-5-13-28-19-11-9-16(10-12-19)14-20-21(23-29-22(20)25)17-7-6-8-18(15-17)24(26)27/h6-12,14-15H,2-5,13H2,1H3/b20-14+InChIKey
WBCWABQSJKPYOX-XSFVSMFZSA-NSynonyms
(4E)4((4hexoxyphenyl)methylidene)3(3nitrophenyl)12oxazol5one
(4E)4(4(hexyloxy)benzylidene)3(3nitrophenyl)12oxazol5(4H)one
CCCCCCOC1=CC=C(C=C1)C=C2C(=NOC2=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCCCCCOc1ccc(cc1)C=C1C(=O)ON=C1c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H22N2O5c1234513281911916(101219)142021(232922(20)25)1776818(1517)24(26)27h6121415H2513H21H3b2014+
MFCD30710464
ZINC000252506583
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