Vitas-M small molecule compound
2-{(E)-2-[2-(acetyloxy)-5-bromo-3-methoxyphenyl]ethenyl}quinolin-8-yl acetate
Catalog ID
STK979908
SMILES COc1cc(Br)cc(c1OC(=O)C)/C=C/c1ccc2c(n1)c(ccc2)OC(=O)C
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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 C22H18BrNO5 MW 456.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO5/c1-13(25)28-19-6-4-5-15-7-9-18(24-21(15)19)10-8-16-11-17(23)12-20(27-3)22(16)29-14(2)26/h4-12H,1-3H3/b10-8+InChIKey
NKCLGLCADYYGNZ-CSKARUKUSA-NSynonyms
(2((E)2(2ACETYLOXY5BROMO3METHOXYPHENYL)ETHENYL)QUINOLIN8YL)ACETATE
2((E)2(2(acetyloxy)5bromo3methoxyphenyl)ethenyl)quinolin8ylacetate
CC(=O)OC1=CC=CC2=C1N=C(C=C2)C=CC3=CC(=CC(=C3OC(=O)C)OC)Br
COc1cc(Br)cc(c1OC(=O)C)C=Cc1ccc2c(n1)c(ccc2)OC(=O)C
InChI=1SC22H18BrNO5c113(25)2819645157918(2421(15)19)108161117(23)1220(273)22(16)2914(2)26h412H13H3b108+
MFCD02222511
ZINC000012380045
ZINC12380045
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