Vitas-M small molecule compound
(4E)-2-(4-tert-butylphenyl)-4-{4-[(2,6-dichlorobenzyl)oxy]-3-ethoxybenzylidene}-1,3-oxazol-5(4H)-one
Catalog ID
STL418017
SMILES CCOc1cc(ccc1OCc1c(Cl)cccc1Cl)/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 C29H27Cl2NO4 MW 524.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27Cl2NO4/c1-5-34-26-16-18(9-14-25(26)35-17-21-22(30)7-6-8-23(21)31)15-24-28(33)36-27(32-24)19-10-12-20(13-11-19)29(2,3)4/h6-16H,5,17H2,1-4H3/b24-15+InChIKey
ZIGCYDPQFBMUMH-BUVRLJJBSA-NSynonyms
(4E)2(4tertbutylphenyl)4((4((26dichlorophenyl)methoxy)3ethoxyphenyl)methylidene)13oxazol5one
(4E)2(4tertbutylphenyl)4(4((26dichlorobenzyl)oxy)3ethoxybenzylidene)13oxazol5(4H)one
CCOC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)C(C)(C)C)OCC4=C(C=CC=C4Cl)Cl
CCOc1cc(ccc1OCc1c(Cl)cccc1Cl)C=C1N=C(OC1=O)c1ccc(cc1)C(C)(C)C
InChI=1SC29H27Cl2NO4c1534261618(91425(26)35172122(30)76823(21)31)152428(33)3627(3224)19101220(131119)29(23)4h616H517H214H3b2415+
MFCD30707190
ZINC000220975853
ZINC220975853
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