Vitas-M small molecule compound
(2E)-3-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
Catalog ID
STK179176
SMILES N#C/C(=C\c1cc(Br)c(c(c1)OC)OCc1cccc(c1)F)/C(=O)Nc1cccc(c1Cl)Cl
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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 C24H16BrCl2FN2O3 MW 550.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16BrCl2FN2O3/c1-32-21-11-15(10-18(25)23(21)33-13-14-4-2-5-17(28)9-14)8-16(12-29)24(31)30-20-7-3-6-19(26)22(20)27/h2-11H,13H2,1H3,(H,30,31)/b16-8+InChIKey
UPYPCUULVQCZQY-LZYBPNLTSA-NSynonyms
(2E)3(3BROMO4((3FLUOROBENZYL)OXY)5METHOXYPHENYL)2CYANON(23DICHLOROPHENYL)PROP2ENAMIDE
(E)3(3BROMO4((3FLUOROPHENYL)METHOXY)5METHOXYPHENYL)2CYANON(23DICHLOROPHENYL)PROP2ENAMIDE
COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C(=CC=C2)Cl)Cl)Br)OCC3=CC(=CC=C3)F
InChI=1SC24H16BrCl2FN2O3c132211115(1018(25)23(21)33131442517(28)914)816(1229)24(31)302073619(26)22(20)27h211H13H21H3(H3031)b168+
MFCD04352924
N#CC(=Cc1cc(Br)c(c(c1)OC)OCc1cccc(c1)F)C(=O)Nc1cccc(c1Cl)Cl
ZINC000097960634
ZINC97960634
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