Vitas-M small molecule compound

(2E)-2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-(2-{[3-(trifluoromethyl)benzyl]oxy}phenyl)prop-2-enamide

Catalog ID
STK472827
SMILES N#C/C(=C\c1ccccc1OCc1cccc(c1)C(F)(F)F)/C(=O)Nc1sc(c(c1C#N)CC)C

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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 C26H20F3N3O2S MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20F3N3O2S/c1-3-21-16(2)35-25(22(21)14-31)32-24(33)19(13-30)12-18-8-4-5-10-23(18)34-15-17-7-6-9-20(11-17)26(27,28)29/h4-12H,3,15H2,1-2H3,(H,32,33)/b19-12+
InChIKey
JSGPYBBCDZPZJC-XDHOZWIPSA-N
Synonyms

(2E)2CYANON(3CYANO4ETHYL5METHYL(2THIENYL))3(2((3(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)PROP2ENAMIDE
(2E)2cyanoN(3cyano4ethyl5methylthiophen2yl)3(2((3(trifluoromethyl)benzyl)oxy)phenyl)prop2enamide
(E)2cyanoN(3cyano4ethyl5methylthiophen2yl)3(2((3(trifluoromethyl)phenyl)methoxy)phenyl)prop2enamide
CCC1=C(SC(=C1C#N)NC(=O)C(=CC2=CC=CC=C2OCC3=CC(=CC=C3)C(F)(F)F)C#N)C
InChI=1SC26H20F3N3O2Sc132116(2)3525(22(21)1431)3224(33)19(1330)12188451023(18)34151776920(1117)26(2728)29h412H315H212H3(H3233)b1912+
MFCD07077420
N#CC(=Cc1ccccc1OCc1cccc(c1)C(F)(F)F)C(=O)Nc1sc(c(c1C#N)CC)C
ZINC000020191302
ZINC20191302

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Available files

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