Vitas-M small molecule compound
(2E)-3-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Catalog ID
STL405714
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCc1ccc(cc1Cl)Cl)/C(=O)N1CCOCC1
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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 C21H17BrCl2N2O3 MW 496.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrCl2N2O3/c22-18-10-14(9-16(12-25)21(27)26-5-7-28-8-6-26)1-4-20(18)29-13-15-2-3-17(23)11-19(15)24/h1-4,9-11H,5-8,13H2/b16-9+InChIKey
ZYEWBGYHLFEERS-CXUHLZMHSA-NSynonyms
(2E)3(3bromo4((24dichlorobenzyl)oxy)phenyl)2(morpholin4ylcarbonyl)prop2enenitrile
(E)3(3BROMO4((24DICHLOROPHENYL)METHOXY)PHENYL)2(MORPHOLINE4CARBONYL)PROP2ENENITRILE
C1COCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)Br)C#N
InChI=1SC21H17BrCl2N2O3c22181014(916(1225)21(27)2657288626)1420(18)2913152317(23)1119(15)24h14911H5813H2b169+
MFCD04227264
N#CC(=Cc1ccc(c(c1)Br)OCc1ccc(cc1Cl)Cl)C(=O)N1CCOCC1
ZINC000033337494
ZINC33337494
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