Vitas-M small molecule compound
ethyl 4-[9-(5-bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]benzoate
Catalog ID
STK914508
SMILES CCOC(=O)c1ccc(cc1)N1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(C)(C)CC2=O)c1cc(Br)ccc1OC
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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 C33H36BrNO5 MW 606.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36BrNO5/c1-7-40-31(38)19-8-11-21(12-9-19)35-23-15-32(2,3)17-25(36)29(23)28(22-14-20(34)10-13-27(22)39-6)30-24(35)16-33(4,5)18-26(30)37/h8-14,28H,7,15-18H2,1-6H3InChIKey
QTLLWAXWYJGRMV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(C4=C2CC(CC4=O)(C)C)C5=C(C=CC(=C5)Br)OC)C(=O)CC(C3)(C)C
ethyl4(9(5bromo2methoxyphenyl)3366tetramethyl18dioxo23456789octahydroacridin10(1H)yl)benzoate
ethyl4(9(5bromo2methoxyphenyl)3366tetramethyl18dioxo4579tetrahydro2Hacridin10yl)benzoate
InChI=1SC33H36BrNO5c174031(38)1981121(12919)35231532(23)1725(36)29(23)28(221420(34)101327(22)396)3024(35)1633(45)1826(30)37h81428H71518H216H3
MFCD14714048
ZINC000033356707
ZINC33356707
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