Vitas-M small molecule compound

(2E)-3-(3-bromo-4-methoxyphenyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

Catalog ID
STK949906
SMILES N#C/C(=C\c1ccc(c(c1)Br)OC)/C(=O)Nc1cccc(c1)C(F)(F)F

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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 C18H12BrF3N2O2 MW 425.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrF3N2O2/c1-26-16-6-5-11(8-15(16)19)7-12(10-23)17(25)24-14-4-2-3-13(9-14)18(20,21)22/h2-9H,1H3,(H,24,25)/b12-7+
InChIKey
IBPAVTCBXHMEFM-KPKJPENVSA-N
Synonyms

(2E)3(3bromo4methoxyphenyl)2cyanoN(3(trifluoromethyl)phenyl)prop2enamide
(E)3(3BROMO4METHOXYPHENYL)2CYANON(3(TRIFLUOROMETHYL)PHENYL)PROP2ENAMIDE
COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(F)(F)F)Br
InChI=1SC18H12BrF3N2O2c126166511(815(16)19)712(1023)17(25)241442313(914)18(2021)22h29H1H3(H2425)b127+
MFCD02957268
N#CC(=Cc1ccc(c(c1)Br)OC)C(=O)Nc1cccc(c1)C(F)(F)F
ZINC000001453943
ZINC01453943
ZINC1453943

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Available files

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