Vitas-M small molecule compound
(2Z)-1-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanone
Catalog ID
STK580546
SMILES COc1cc2CCN/C(=C\C(=O)c3cc(Br)c4c(c3)OCCO4)/c2cc1OC
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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 C21H20BrNO5 MW 446.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO5/c1-25-18-8-12-3-4-23-16(14(12)10-19(18)26-2)11-17(24)13-7-15(22)21-20(9-13)27-5-6-28-21/h7-11,23H,3-6H2,1-2H3/b16-11-InChIKey
KQORDAREEWWCIV-WJDWOHSUSA-NSynonyms
883951-28-8(2Z)1(5bromo23dihydro14benzodioxin7yl)2(67dimethoxy34dihydro2Hisoquinolin1ylidene)ethanone
(2Z)1(8bromo23dihydro14benzodioxin6yl)2(67dimethoxy34dihydroisoquinolin1(2H)ylidene)ethanone
(Z)1(8bromo23dihydrobenzo(b)(14)dioxin6yl)2(67dimethoxy34dihydroisoquinolin1(2H)ylidene)ethanone
883951288
COC1=C(C=C2C(=C1)CCNC2=CC(=O)C3=CC4=C(C(=C3)Br)OCCO4)OC
COc1cc2CCNC(=CC(=O)c3cc(Br)c4c(c3)OCCO4)c2cc1OC
InChI=1SC21H20BrNO5c12518812342316(14(12)1019(18)262)1117(24)13715(22)2120(913)27562821h71123H36H212H3b1611
MFCD07638300
ZINC000013576597
ZINC13576597
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