Vitas-M small molecule compound

10-benzyl-9-(3-bromo-5-ethoxy-4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione

Catalog ID
STK661990
SMILES CCOc1cc(cc(c1OC)Br)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)Cc1ccccc1

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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 C33H38BrNO4 MW 592.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38BrNO4/c1-7-39-27-14-21(13-22(34)31(27)38-6)28-29-23(15-32(2,3)17-25(29)36)35(19-20-11-9-8-10-12-20)24-16-33(4,5)18-26(37)30(24)28/h8-14,28H,7,15-19H2,1-6H3
InChIKey
LCKMKBSTFFZZLM-UHFFFAOYSA-N
Synonyms

10benzyl9(3bromo5ethoxy4methoxyphenyl)3366tetramethyl3467910hexahydroacridine18(2H5H)dione
10benzyl9(3bromo5ethoxy4methoxyphenyl)3366tetramethyl4579tetrahydro2Hacridine18dione
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)N(C4=C2C(=O)CC(C4)(C)C)CC5=CC=CC=C5)Br)OC
InChI=1SC33H38BrNO4c1739271421(1322(34)31(27)386)282923(1532(23)1725(29)36)35(19201198101220)241633(45)1826(37)30(24)28h81428H71519H216H3
MFCD02852967
ZINC000002192396
ZINC2192396

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Available files

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