Vitas-M small molecule compound
ethyl (2E)-3-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-2-cyanoprop-2-enoate
Catalog ID
STK078175
SMILES CCOC(=O)/C(=C/c1cc(Br)c(c(c1)OCC)OCc1ccc(cc1)F)/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 C21H19BrFNO4 MW 448.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrFNO4/c1-3-26-19-11-15(9-16(12-24)21(25)27-4-2)10-18(22)20(19)28-13-14-5-7-17(23)8-6-14/h5-11H,3-4,13H2,1-2H3/b16-9+InChIKey
LRJXJLGOPARDMS-CXUHLZMHSA-NSynonyms
CCOC(=O)C(=Cc1cc(Br)c(c(c1)OCC)OCc1ccc(cc1)F)C#N
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC)Br)OCC2=CC=C(C=C2)F
ETHYL(2E)3(3BROMO5ETHOXY4((4FLUOROBENZYL)OXY)PHENYL)2CYANOPROP2ENOATE
ethyl(E)3(3bromo5ethoxy4((4fluorophenyl)methoxy)phenyl)2cyanoprop2enoate
InChI=1SC21H19BrFNO4c1326191115(916(1224)21(25)2742)1018(22)20(19)2813145717(23)8614h511H3413H212H3b169+
MFCD02204397
STK078175
ZINC000009659965
ZINC09659965
ZINC9659965
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