Vitas-M small molecule compound

(4Z)-2-(4-tert-butylphenyl)-4-{3-ethoxy-5-iodo-4-[(2-methylprop-2-en-1-yl)oxy]benzylidene}-1,3-oxazol-5(4H)-one

Catalog ID
STL171106
SMILES CCOc1cc(/C=C/2\N=C(OC2=O)c2ccc(cc2)C(C)(C)C)cc(c1OCC(=C)C)I

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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 C26H28INO4 MW 545.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28INO4/c1-7-30-22-14-17(12-20(27)23(22)31-15-16(2)3)13-21-25(29)32-24(28-21)18-8-10-19(11-9-18)26(4,5)6/h8-14H,2,7,15H2,1,3-6H3/b21-13-
InChIKey
NWYWFEMLJXROEV-BKUYFWCQSA-N
Synonyms

(4Z)2(4tertbutylphenyl)4((3ethoxy5iodo4(2methylprop2enoxy)phenyl)methylidene)13oxazol5one
(4Z)2(4tertbutylphenyl)4(3ethoxy5iodo4((2methylprop2en1yl)oxy)benzylidene)13oxazol5(4H)one
CCOC1=C(C(=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)C(C)(C)C)I)OCC(=C)C
CCOc1cc(C=C2N=C(OC2=O)c2ccc(cc2)C(C)(C)C)cc(c1OCC(=C)C)I
InChI=1SC26H28INO4c1730221417(1220(27)23(22)311516(2)3)132125(29)3224(2821)1881019(11918)26(45)6h814H2715H2136H3b2113
MFCD01919439
ZINC000002742820
ZINC2742820

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Available files

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