Vitas-M small molecule compound

(4Z)-2-(4-chloro-3-nitrophenyl)-4-(3,5-di-tert-butyl-4-hydroxybenzylidene)-1,3-oxazol-5(4H)-one

Catalog ID
STK536069
SMILES O=C1OC(=N/C/1=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C24H25ClN2O5 MW 456.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN2O5/c1-23(2,3)15-9-13(10-16(20(15)28)24(4,5)6)11-18-22(29)32-21(26-18)14-7-8-17(25)19(12-14)27(30)31/h7-12,28H,1-6H3/b18-11-
InChIKey
YMGRBFVNLZUXBY-WQRHYEAKSA-N
Synonyms

(4Z)2(4CHLORO3NITROPHENYL)4((35DITERTBUTYL4HYDROXYPHENYL)METHYLIDENE)13OXAZOL5ONE
(4Z)2(4chloro3nitrophenyl)4(35ditertbutyl4hydroxybenzylidene)13oxazol5(4H)one
(Z)2(4chloro3nitrophenyl)4(35ditertbutyl4hydroxybenzylidene)oxazol5(4H)one
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC24H25ClN2O5c123(23)15913(1016(20(15)28)24(45)6)111822(29)3221(2618)147817(25)19(1214)27(30)31h71228H16H3b1811
MFCD02991663
O=C1OC(=NC1=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000002069079
ZINC02069079
ZINC2069079

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Available files

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