Vitas-M small molecule compound
{2-bromo-4-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]phenoxy}acetic acid
Catalog ID
STK183271
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCC(=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 C18H13BrN2O4 MW 401.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrN2O4/c19-15-9-12(6-7-16(15)25-11-17(22)23)8-13(10-20)18(24)21-14-4-2-1-3-5-14/h1-9H,11H2,(H,21,24)(H,22,23)/b13-8+InChIKey
DKPHWDHJUHWHPC-MDWZMJQESA-NSynonyms
347375-76-2(2BROMO4((1E)2CYANO3OXO3(PHENYLAMINO)PROP1EN1YL)PHENOXY)ACETICACID
2(4((E)3ANILINO2CYANO3OXOPROP1ENYL)2BROMOPHENOXY)ACETICACID
347375762
C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OCC(=O)O)Br)C#N
InChI=1SC18H13BrN2O4c1915912(6716(15)251117(22)23)813(1020)18(24)21144213514h19H11H2(H2124)(H2223)b138+
MFCD02379682
N#CC(=Cc1ccc(c(c1)Br)OCC(=O)O)C(=O)Nc1ccccc1
ZINC000004723214
ZINC4723214
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