Vitas-M small molecule compound

(2E)-3-(3-bromo-4-{2-[(3-methylphenyl)amino]-2-oxoethoxy}phenyl)-2-cyano-N-(4-fluorophenyl)prop-2-enamide

Catalog ID
STK179265
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCC(=O)Nc1cccc(c1)C)/C(=O)Nc1ccc(cc1)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 C25H19BrFN3O3 MW 508.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrFN3O3/c1-16-3-2-4-21(11-16)29-24(31)15-33-23-10-5-17(13-22(23)26)12-18(14-28)25(32)30-20-8-6-19(27)7-9-20/h2-13H,15H2,1H3,(H,29,31)(H,30,32)/b18-12+
InChIKey
YXQUWGGOMLBKRW-LDADJPATSA-N
Synonyms

(2E)3(3BROMO4(2((3METHYLPHENYL)AMINO)2OXOETHOXY)PHENYL)2CYANON(4FLUOROPHENYL)PROP2ENAMIDE
(E)3(3BROMO4(2(3METHYLANILINO)2OXOETHOXY)PHENYL)2CYANON(4FLUOROPHENYL)PROP2ENAMIDE
CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)F)Br
InChI=1SC25H19BrFN3O3c11632421(1116)2924(31)15332310517(1322(23)26)1218(1428)25(32)30208619(27)7920h213H15H21H3(H2931)(H3032)b1812+
MFCD05800887
N#CC(=Cc1ccc(c(c1)Br)OCC(=O)Nc1cccc(c1)C)C(=O)Nc1ccc(cc1)F
ZINC000009323866
ZINC09323866
ZINC9323866

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Available files

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