Vitas-M small molecule compound
ethyl (2E)-3-(5-bromo-2-{2-[4-(butan-2-yl)phenoxy]ethoxy}phenyl)-2-cyanoprop-2-enoate
Catalog ID
STK039029
SMILES CCOC(=O)/C(=C/c1cc(Br)ccc1OCCOc1ccc(cc1)C(CC)C)/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 C24H26BrNO4 MW 472.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26BrNO4/c1-4-17(3)18-6-9-22(10-7-18)29-12-13-30-23-11-8-21(25)15-19(23)14-20(16-26)24(27)28-5-2/h6-11,14-15,17H,4-5,12-13H2,1-3H3/b20-14+InChIKey
UGRGUZMJRYUGJK-XSFVSMFZSA-NSynonyms
CCC(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)Br)C=C(C#N)C(=O)OCC
CCOC(=O)C(=Cc1cc(Br)ccc1OCCOc1ccc(cc1)C(CC)C)C#N
ETHYL(2E)3(5BROMO2(2(4(BUTAN2YL)PHENOXY)ETHOXY)PHENYL)2CYANOPROP2ENOATE
ETHYL(E)3(5BROMO2(2(4BUTAN2YLPHENOXY)ETHOXY)PHENYL)2CYANOPROP2ENOATE
InChI=1SC24H26BrNO4c1417(3)186922(10718)291213302311821(25)1519(23)1420(1626)24(27)2852h611141517H451213H213H3b2014+
MFCD02206039
STK039029
ZINC000009299723
ZINC000013942281
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