Vitas-M small molecule compound
(2E)-N-benzyl-3-{2-bromo-4-[(4-bromobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide
Catalog ID
STK387608
SMILES N#C/C(=C\c1cc(OC)c(cc1Br)OCc1ccc(cc1)Br)/C(=O)NCc1ccccc1
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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 C25H20Br2N2O3 MW 556.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20Br2N2O3/c1-31-23-12-19(11-20(14-28)25(30)29-15-17-5-3-2-4-6-17)22(27)13-24(23)32-16-18-7-9-21(26)10-8-18/h2-13H,15-16H2,1H3,(H,29,30)/b20-11+InChIKey
DCTNLRPKKDKVCF-RGVLZGJSSA-NSynonyms
(2E)3(2BROMO4((4BROMOPHENYL)METHOXY)5METHOXYPHENYL)2CYANONBENZYLPROP2ENAMIDE
(2E)NBENZYL3(2BROMO4((4BROMOBENZYL)OXY)5METHOXYPHENYL)2CYANOPROP2ENAMIDE
(E)NBENZYL3(2BROMO4((4BROMOPHENYL)METHOXY)5METHOXYPHENYL)2CYANOPROP2ENAMIDE
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)Br
InChI=1SC25H20Br2N2O3c131231219(1120(1428)25(30)2915175324617)22(27)1324(23)3216187921(26)10818h213H1516H21H3(H2930)b2011+
MFCD01824657
N#CC(=Cc1cc(OC)c(cc1Br)OCc1ccc(cc1)Br)C(=O)NCc1ccccc1
ZINC000004196315
ZINC4196315
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