Vitas-M small molecule compound

[9-{5-bromo-2-[(2,4-dichlorobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]acetic acid

Catalog ID
STK083051
SMILES OC(=O)CN1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(C)(C)CC2=O)c1cc(Br)ccc1OCc1ccc(cc1Cl)Cl

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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 C32H32BrCl2NO5 MW 661.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32BrCl2NO5/c1-31(2)11-22-29(24(37)13-31)28(30-23(36(22)15-27(39)40)12-32(3,4)14-25(30)38)20-9-18(33)6-8-26(20)41-16-17-5-7-19(34)10-21(17)35/h5-10,28H,11-16H2,1-4H3,(H,39,40)
InChIKey
KKWSRZKQWBOKAV-UHFFFAOYSA-N
Synonyms

(9(5bromo2((24dichlorobenzyl)oxy)phenyl)3366tetramethyl18dioxo23456789octahydroacridin10(1H)yl)aceticacid
2(9(5bromo2((24dichlorophenyl)methoxy)phenyl)3366tetramethyl18dioxo4579tetrahydro2Hacridin10yl)aceticacid
CC1(CC2=C(C(C3=C(N2CC(=O)O)CC(CC3=O)(C)C)C4=C(C=CC(=C4)Br)OCC5=C(C=C(C=C5)Cl)Cl)C(=O)C1)C
InChI=1SC32H32BrCl2NO5c131(2)112229(24(37)1331)28(3023(36(22)1527(39)40)1232(34)1425(30)38)20918(33)6826(20)4116175719(34)1021(17)35h51028H1116H214H3(H3940)
MFCD03082256
OC(=O)CN1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(C)(C)CC2=O)c1cc(Br)ccc1OCc1ccc(cc1Cl)Cl
STK083051
ZINC000008437897
ZINC8437897

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Available files

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