Vitas-M small molecule compound
(2E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Catalog ID
STK585336
SMILES CCCOc1c(Cl)cc(cc1OCC)/C=C/C(=O)N1CCc2c(C1=C)cc(c(c2)OC)OC
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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 C26H30ClNO5 MW 471.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClNO5/c1-6-12-33-26-21(27)13-18(14-24(26)32-7-2)8-9-25(29)28-11-10-19-15-22(30-4)23(31-5)16-20(19)17(28)3/h8-9,13-16H,3,6-7,10-12H2,1-2,4-5H3/b9-8+InChIKey
IIHQTOTUANOTJB-CMDGGOBGSA-NSynonyms
902045-31-2(2E)3(3chloro5ethoxy4propoxyphenyl)1(67dimethoxy1methylidene34dihydroisoquinolin2(1H)yl)prop2en1one
(E)3(3chloro5ethoxy4propoxyphenyl)1(67dimethoxy1methylene34dihydroisoquinolin2(1H)yl)prop2en1one
(E)3(3CHLORO5ETHOXY4PROPOXYPHENYL)1(67DIMETHOXY1METHYLIDENE34DIHYDROISOQUINOLIN2YL)PROP2EN1ONE
902045312
CCCOC1=C(C=C(C=C1Cl)C=CC(=O)N2CCC3=CC(=C(C=C3C2=C)OC)OC)OCC
CCCOc1c(Cl)cc(cc1OCC)C=CC(=O)N1CCc2c(C1=C)cc(c(c2)OC)OC
InChI=1SC26H30ClNO5c1612332621(27)1318(1424(26)3272)8925(29)281110191522(304)23(315)1620(19)17(28)3h891316H3671012H21245H3b98+
MFCD06781222
ZINC000013557272
ZINC13557272
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