Vitas-M small molecule compound
4-({5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}methyl)benzoic acid
Catalog ID
STK186319
SMILES N#C/C(=C/c1cc(OC)c(cc1Br)OCc1ccc(cc1)C(=O)O)/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 C25H19BrN2O5 MW 507.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrN2O5/c1-32-22-12-18(11-19(14-27)24(29)28-20-5-3-2-4-6-20)21(26)13-23(22)33-15-16-7-9-17(10-8-16)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)/b19-11-InChIKey
NSMBRMFKUKGMDO-ODLFYWEKSA-NSynonyms
(Z)4((5bromo4(2cyano3oxo3(phenylamino)prop1en1yl)2methoxyphenoxy)methyl)benzoicacid
4((4((Z)3ANILINO2CYANO3OXOPROP1ENYL)5BROMO2METHOXYPHENOXY)METHYL)BENZOICACID
4((5BROMO4((1Z)2CYANO3OXO3(PHENYLAMINO)PROP1EN1YL)2METHOXYPHENOXY)METHYL)BENZOICACID
4(5BROMO4((Z)2CYANO2PHENYLCARBAMOYLVINYL)2METHOXYPHENOXYMETHYL)BENZOICACID
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)C(=O)O
InChI=1SC25H19BrN2O5c132221218(1119(1427)24(29)28205324620)21(26)1323(22)3315167917(10816)25(30)31h213H15H21H3(H2829)(H3031)b1911
MFCD02193956
N#CC(=Cc1cc(OC)c(cc1Br)OCc1ccc(cc1)C(=O)O)C(=O)Nc1ccccc1
ZINC000030798236
ZINC30798236
Check stock
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Check stock on Vitas-MAvailable files
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