Vitas-M small molecule compound
(2E)-3-{3-bromo-4-[(2-cyanobenzyl)oxy]phenyl}prop-2-enoic acid
Catalog ID
STK387810
SMILES N#Cc1ccccc1COc1ccc(cc1Br)/C=C/C(=O)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 C17H12BrNO3 MW 358.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12BrNO3/c18-15-9-12(6-8-17(20)21)5-7-16(15)22-11-14-4-2-1-3-13(14)10-19/h1-9H,11H2,(H,20,21)/b8-6+InChIKey
JVVQIHBFUNOEOZ-SOFGYWHQSA-NSynonyms
(2E)3(3BROMO4((2CYANOBENZYL)OXY)PHENYL)PROP2ENOICACID
(2E)3(3BROMO4((2CYANOPHENYL)METHOXY)PHENYL)PROP2ENOICACID
(E)3(3BROMO4((2CYANOPHENYL)METHOXY)PHENYL)PROP2ENOICACID
C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=CC(=O)O)Br)C#N
InChI=1SC17H12BrNO3c1815912(6817(20)21)5716(15)221114421313(14)1019h19H11H2(H2021)b86+
MFCD01873772
N#Cc1ccccc1COc1ccc(cc1Br)C=CC(=O)O
ZINC000004501693
ZINC4501693
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