Vitas-M small molecule compound
(4Z)-2-(4-tert-butylphenyl)-4-(4-methoxy-3-nitrobenzylidene)-1,3-oxazol-5(4H)-one
Catalog ID
STK998259
SMILES COc1ccc(cc1[N+](=O)[O-])/C=C/1\N=C(OC1=O)c1ccc(cc1)C(C)(C)C
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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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-21(2,3)15-8-6-14(7-9-15)19-22-16(20(24)28-19)11-13-5-10-18(27-4)17(12-13)23(25)26/h5-12H,1-4H3/b16-11-InChIKey
SNRKTIIMPOCLFS-WJDWOHSUSA-NSynonyms
(4Z)2(4TERTBUTYLPHENYL)4((4METHOXY3NITROPHENYL)METHYLIDENE)13OXAZOL5ONE
(4Z)2(4tertbutylphenyl)4(4methoxy3nitrobenzylidene)13oxazol5(4H)one
(Z)2(4(tertbutyl)phenyl)4(4methoxy3nitrobenzylidene)oxazol5(4H)one
CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)OC)(N+)(=O)(O))C(=O)O2
COc1ccc(cc1(N+)(=O)(O))C=C1N=C(OC1=O)c1ccc(cc1)C(C)(C)C
InChI=1SC21H20N2O5c121(23)158614(7915)192216(20(24)2819)111351018(274)17(1213)23(25)26h512H14H3b1611
MFCD02985609
ZINC000004837116
ZINC04837116
ZINC4837116
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