Vitas-M small molecule compound
ethyl (2E)-3-{3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-2-cyanoprop-2-enoate
Catalog ID
STK153959
SMILES CCOC(=O)/C(=C/c1cc(Br)c(c(c1)OC)OCCOc1ccccc1C)/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/c1-4-27-22(25)17(14-24)11-16-12-18(23)21(20(13-16)26-3)29-10-9-28-19-8-6-5-7-15(19)2/h5-8,11-13H,4,9-10H2,1-3H3/b17-11+InChIKey
MWNJXCMOQVHPBG-GZTJUZNOSA-NSynonyms
CCOC(=O)C(=CC1=CC(=C(C(=C1)Br)OCCOC2=CC=CC=C2C)OC)C#N
CCOC(=O)C(=Cc1cc(Br)c(c(c1)OC)OCCOc1ccccc1C)C#N
ETHYL(2E)3(3BROMO5METHOXY4(2(2METHYLPHENOXY)ETHOXY)PHENYL)2CYANOPROP2ENOATE
ethyl(E)3(3bromo5methoxy4(2(2methylphenoxy)ethoxy)phenyl)2cyanoprop2enoate
InChI=1SC22H22BrNO5c142722(25)17(1424)11161218(23)21(20(1316)263)291092819865715(19)2h581113H4910H213H3b1711+
MFCD02205253
ZINC000013881205
ZINC13881205
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