Vitas-M small molecule compound
3-{9-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl}propanoic acid
Catalog ID
STK063186
SMILES C#CCOc1c(Br)cc(cc1OCC)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)CCC(=O)O
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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 C27H28BrNO6 MW 542.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrNO6/c1-3-13-35-27-17(28)14-16(15-22(27)34-4-2)24-25-18(7-5-9-20(25)30)29(12-11-23(32)33)19-8-6-10-21(31)26(19)24/h1,14-15,24H,4-13H2,2H3,(H,32,33)InChIKey
WKPOKIGTYNSTPZ-UHFFFAOYSA-NSynonyms
3(9(3bromo5ethoxy4(prop2yn1yloxy)phenyl)18dioxo23456789octahydroacridin10(1H)yl)propanoicacid
3(9(3bromo5ethoxy4prop2ynoxyphenyl)18dioxo345679hexahydro2Hacridin10yl)propanoicacid
C#CCOc1c(Br)cc(cc1OCC)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)CCC(=O)O
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CCC(=O)O)Br)OCC#C
InChI=1SC27H28BrNO6c1313352717(28)1416(1522(27)3442)242518(75920(25)30)29(121123(32)33)19861021(31)26(19)24h1141524H413H22H3(H3233)
MFCD03725756
STK063186
ZINC000002116865
ZINC2116865
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