Vitas-M small molecule compound
(2E)-3-{3-bromo-4-[(4-cyanobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N-phenylprop-2-enamide
Catalog ID
STK125898
SMILES N#Cc1ccc(cc1)COc1c(Br)cc(cc1OC)/C=C(/C(=O)Nc1ccccc1)\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 C25H18BrN3O3 MW 488.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrN3O3/c1-31-23-13-19(11-20(15-28)25(30)29-21-5-3-2-4-6-21)12-22(26)24(23)32-16-18-9-7-17(14-27)8-10-18/h2-13H,16H2,1H3,(H,29,30)/b20-11+InChIKey
PMBKDEAQPFLMAR-RGVLZGJSSA-NSynonyms
(2E)3(3BROMO4((4CYANOBENZYL)OXY)5METHOXYPHENYL)2CYANONPHENYLPROP2ENAMIDE
(E)3(3BROMO4((4CYANOPHENYL)METHOXY)5METHOXYPHENYL)2CYANONPHENYLPROP2ENAMIDE
COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)C#N
InChI=1SC25H18BrN3O3c131231319(1120(1528)25(30)29215324621)1222(26)24(23)3216189717(1427)81018h213H16H21H3(H2930)b2011+
MFCD08671352
N#Cc1ccc(cc1)COc1c(Br)cc(cc1OC)C=C(C(=O)Nc1ccccc1)C#N
ZINC000009833760
ZINC09833760
ZINC9833760
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