Vitas-M small molecule compound
ethyl (2E)-3-[3-bromo-5-ethoxy-4-(2-phenoxyethoxy)phenyl]-2-cyanoprop-2-enoate
Catalog ID
STK153957
SMILES CCOC(=O)/C(=C/c1cc(Br)c(c(c1)OCC)OCCOc1ccccc1)/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/c1-3-26-20-14-16(12-17(15-24)22(25)27-4-2)13-19(23)21(20)29-11-10-28-18-8-6-5-7-9-18/h5-9,12-14H,3-4,10-11H2,1-2H3/b17-12+InChIKey
DAFAEPGKEINGRT-SFQUDFHCSA-NSynonyms
CCOC(=O)C(=Cc1cc(Br)c(c(c1)OCC)OCCOc1ccccc1)C#N
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC)Br)OCCOC2=CC=CC=C2
ETHYL(2E)3(3BROMO5ETHOXY4(2PHENOXYETHOXY)PHENYL)2CYANOPROP2ENOATE
ethyl(E)3(3bromo5ethoxy4(2phenoxyethoxy)phenyl)2cyanoprop2enoate
InChI=1SC22H22BrNO5c1326201416(1217(1524)22(25)2742)1319(23)21(20)29111028188657918h591214H341011H212H3b1712+
MFCD02205249
ZINC000013881201
ZINC13881201
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