Vitas-M small molecule compound

{2,6-dibromo-4-[(1Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-en-1-yl]phenoxy}acetic acid

Catalog ID
STK183041
SMILES N#C/C(=C/c1cc(Br)c(c(c1)Br)OCC(=O)O)/C(=O)NC1CCCC1

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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 C17H16Br2N2O4 MW 472.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16Br2N2O4/c18-13-6-10(7-14(19)16(13)25-9-15(22)23)5-11(8-20)17(24)21-12-3-1-2-4-12/h5-7,12H,1-4,9H2,(H,21,24)(H,22,23)/b11-5-
InChIKey
KKHLPHPHFJQBOM-WZUFQYTHSA-N
Synonyms

(26DIBROMO4((1Z)2CYANO3(CYCLOPENTYLAMINO)3OXOPROP1EN1YL)PHENOXY)ACETICACID
2(26DIBROMO4((Z)2CYANO3(CYCLOPENTYLAMINO)3OXOPROP1ENYL)PHENOXY)ACETICACID
C1CCC(C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC(=O)O)Br)C#N
InChI=1SC17H16Br2N2O4c1813610(714(19)16(13)25915(22)23)511(820)17(24)2112312412h5712H149H2(H2124)(H2223)b115
MFCD04364024
N#CC(=Cc1cc(Br)c(c(c1)Br)OCC(=O)O)C(=O)NC1CCCC1
ZINC000015228985
ZINC15228985

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Available files

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