Vitas-M small molecule compound

{4-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-2-bromophenoxy}acetic acid

Catalog ID
STK183275
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCC(=O)O)/C(=O)NCc1ccccc1

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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/c20-16-9-14(6-7-17(16)26-12-18(23)24)8-15(10-21)19(25)22-11-13-4-2-1-3-5-13/h1-9H,11-12H2,(H,22,25)(H,23,24)/b15-8+
InChIKey
KSYYZIDDRDTTPZ-OVCLIPMQSA-N
Synonyms

(4((1E)3(BENZYLAMINO)2CYANO3OXOPROP1EN1YL)2BROMOPHENOXY)ACETICACID
2(4((E)3(BENZYLAMINO)2CYANO3OXOPROP1ENYL)2BROMOPHENOXY)ACETICACID
C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C=C2)OCC(=O)O)Br)C#N
InChI=1SC19H15BrN2O4c2016914(6717(16)261218(23)24)815(1021)19(25)2211134213513h19H1112H2(H2225)(H2324)b158+
MFCD02379700
N#CC(=Cc1ccc(c(c1)Br)OCC(=O)O)C(=O)NCc1ccccc1
ZINC000009311326
ZINC9311326

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Available files

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