Vitas-M small molecule compound

2-{(E)-[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 2-bromobenzoate

Catalog ID
STK710257
SMILES O=C1OC(=N/C/1=C/c1ccccc1OC(=O)c1ccccc1Br)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 C27H22BrNO4 MW 504.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrNO4/c1-27(2,3)19-14-12-17(13-15-19)24-29-22(26(31)33-24)16-18-8-4-7-11-23(18)32-25(30)20-9-5-6-10-21(20)28/h4-16H,1-3H3/b22-16+
InChIKey
XEAGYZHNVDAYOB-CJLVFECKSA-N
Synonyms

(2((E)(2(4tertbutylphenyl)5oxo13oxazol4ylidene)methyl)phenyl)2bromobenzoate
2((E)(2(4tertbutylphenyl)5oxo13oxazol4(5H)ylidene)methyl)phenyl2bromobenzoate
CC(C)(C)C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3OC(=O)C4=CC=CC=C4Br)C(=O)O2
InChI=1SC27H22BrNO4c127(23)19141217(131519)242922(26(31)3324)16188471123(18)3225(30)209561021(20)28h416H13H3b2216+
MFCD03058810
O=C1OC(=NC1=Cc1ccccc1OC(=O)c1ccccc1Br)c1ccc(cc1)C(C)(C)C
ZINC000003671076
ZINC03671076
ZINC3671076

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Available files

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