Vitas-M small molecule compound
ethyl (2E)-3-{4-[2-(4-bromophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyanoprop-2-enoate
Catalog ID
STK153958
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1)Br)/C=C(/C(=O)OCC)\C#N
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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 C22H22BrNO5 MW 460.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrNO5/c1-3-26-21-14-16(13-17(15-24)22(25)27-4-2)5-10-20(21)29-12-11-28-19-8-6-18(23)7-9-19/h5-10,13-14H,3-4,11-12H2,1-2H3/b17-13+InChIKey
JUBFYWTZHBDPSG-GHRIWEEISA-NSynonyms
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OCCOC2=CC=C(C=C2)Br
CCOc1cc(ccc1OCCOc1ccc(cc1)Br)C=C(C(=O)OCC)C#N
ETHYL(2E)3(4(2(4BROMOPHENOXY)ETHOXY)3ETHOXYPHENYL)2CYANOPROP2ENOATE
ethyl(E)3(4(2(4bromophenoxy)ethoxy)3ethoxyphenyl)2cyanoprop2enoate
InChI=1SC22H22BrNO5c1326211416(1317(1524)22(25)2742)51020(21)29121128198618(23)7919h5101314H341112H212H3b1713+
MFCD02205252
ZINC000013881203
ZINC13881203
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