Vitas-M small molecule compound

methyl {2-bromo-4-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]phenoxy}acetate

Catalog ID
STK186078
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCC(=O)OC)/C(=O)Nc1ccccc1

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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 C19H15BrN2O4 MW 415.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN2O4/c1-25-18(23)12-26-17-8-7-13(10-16(17)20)9-14(11-21)19(24)22-15-5-3-2-4-6-15/h2-10H,12H2,1H3,(H,22,24)/b14-9+
InChIKey
CQGVYFBIGPOYCR-NTEUORMPSA-N
Synonyms

COC(=O)COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Br
InChI=1SC19H15BrN2O4c12518(23)1226178713(1016(17)20)914(1121)19(24)22155324615h210H12H21H3(H2224)b149+
METHYL(2BROMO4((1E)2CYANO3OXO3(PHENYLAMINO)PROP1EN1YL)PHENOXY)ACETATE
METHYL2(4((E)3ANILINO2CYANO3OXOPROP1ENYL)2BROMOPHENOXY)ACETATE
MFCD02379683
N#CC(=Cc1ccc(c(c1)Br)OCC(=O)OC)C(=O)Nc1ccccc1
ZINC000009311319
ZINC09311319
ZINC9311319

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.