Vitas-M small molecule compound
(2-bromo-4-{(1E)-2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)acetic acid
Catalog ID
STK183024
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCC(=O)O)/C(=O)Nc1ccc(cc1)O
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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 C18H13BrN2O5 MW 417.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrN2O5/c19-15-8-11(1-6-16(15)26-10-17(23)24)7-12(9-20)18(25)21-13-2-4-14(22)5-3-13/h1-8,22H,10H2,(H,21,25)(H,23,24)/b12-7+InChIKey
LAHRYMKCKZRLNZ-KPKJPENVSA-NSynonyms
662153-81-3(2BROMO4((1E)2CYANO3((4HYDROXYPHENYL)AMINO)3OXOPROP1EN1YL)PHENOXY)ACETICACID
2(2BROMO4((E)2CYANO3(4HYDROXYANILINO)3OXOPROP1ENYL)PHENOXY)ACETICACID
662153813
C1=CC(=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OCC(=O)O)Br)C#N)O
InChI=1SC18H13BrN2O5c1915811(1616(15)261017(23)24)712(920)18(25)21132414(22)5313h1822H10H2(H2125)(H2324)b127+
MFCD04041849
N#CC(=Cc1ccc(c(c1)Br)OCC(=O)O)C(=O)Nc1ccc(cc1)O
ZINC000008721947
ZINC8721947
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