Vitas-M small molecule compound
2-{(E)-2-[2-(acetyloxy)-3-bromo-5-chlorophenyl]ethenyl}quinolin-8-yl acetate
Catalog ID
STK521750
SMILES CC(=O)Oc1c(/C=C/c2ccc3c(n2)c(ccc3)OC(=O)C)cc(cc1Br)Cl
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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 C21H15BrClNO4 MW 460.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrClNO4/c1-12(25)27-19-5-3-4-14-6-8-17(24-20(14)19)9-7-15-10-16(23)11-18(22)21(15)28-13(2)26/h3-11H,1-2H3/b9-7+InChIKey
AJNPWWAQRFCJLD-VQHVLOKHSA-NSynonyms
(2((E)2(2ACETYLOXY3BROMO5CHLOROPHENYL)ETHENYL)QUINOLIN8YL)ACETATE
2((E)2(2(acetyloxy)3bromo5chlorophenyl)ethenyl)quinolin8ylacetate
CC(=O)OC1=CC=CC2=C1N=C(C=C2)C=CC3=CC(=CC(=C3OC(=O)C)Br)Cl
CC(=O)Oc1c(C=Cc2ccc3c(n2)c(ccc3)OC(=O)C)cc(cc1Br)Cl
InChI=1SC21H15BrClNO4c112(25)2719534146817(2420(14)19)97151016(23)1118(22)21(15)2813(2)26h311H12H3b97+
MFCD03717608
ZINC000012380044
ZINC12380044
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