Vitas-M small molecule compound
(2E)-3-(5-bromofuran-2-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Catalog ID
STK595416
SMILES COc1cc2CN(CCc2cc1OC)C(=O)/C=C/c1ccc(o1)Br
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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 C18H18BrNO4 MW 392.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrNO4/c1-22-15-9-12-7-8-20(11-13(12)10-16(15)23-2)18(21)6-4-14-3-5-17(19)24-14/h3-6,9-10H,7-8,11H2,1-2H3/b6-4+InChIKey
TUDMLIRMLWNXSY-GQCTYLIASA-NSynonyms
883953-84-2(2E)3(5bromofuran2yl)1(67dimethoxy34dihydroisoquinolin2(1H)yl)prop2en1one
(E)3(5BROMOFURAN2YL)1(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)PROP2EN1ONE
(E)3(5bromofuran2yl)1(67dimethoxy34dihydroisoquinolin2(1H)yl)prop2en1one
883953842
COC1=C(C=C2CN(CCC2=C1)C(=O)C=CC3=CC=C(O3)Br)OC
COc1cc2CN(CCc2cc1OC)C(=O)C=Cc1ccc(o1)Br
InChI=1SC18H18BrNO4c122159127820(1113(12)1016(15)232)18(21)64143517(19)2414h36910H7811H212H3b64+
MFCD06610048
ZINC000002347485
ZINC02347485
ZINC2347485
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