Vitas-M small molecule compound
2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl acetate
Catalog ID
STK521751
SMILES CC(=O)Oc1cccc2c1nc(/C=C/c1cc3OCOc3cc1Br)cc2
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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 C20H14BrNO4 MW 412.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrNO4/c1-12(23)26-17-4-2-3-13-5-7-15(22-20(13)17)8-6-14-9-18-19(10-16(14)21)25-11-24-18/h2-10H,11H2,1H3/b8-6+InChIKey
ILNSIMXCQOYFLG-SOFGYWHQSA-NSynonyms
(2((E)2(6BROMO13BENZODIOXOL5YL)ETHENYL)QUINOLIN8YL)ACETATE
2((E)2(6bromo13benzodioxol5yl)ethenyl)quinolin8ylacetate
CC(=O)OC1=CC=CC2=C1N=C(C=C2)C=CC3=CC4=C(C=C3Br)OCO4
CC(=O)Oc1cccc2c1nc(C=Cc1cc3OCOc3cc1Br)cc2
InChI=1SC20H14BrNO4c112(23)2617423135715(2220(13)17)861491819(1016(14)21)25112418h210H11H21H3b86+
MFCD03717770
ZINC000004182549
ZINC04182549
ZINC4182549
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