Vitas-M small molecule compound
[9-{4-[(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
STK012653
SMILES OC(=O)CN1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)OCc1ccc(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 C32H33Cl2NO5 MW 582.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33Cl2NO5/c1-31(2)12-23-29(25(36)14-31)28(30-24(35(23)16-27(38)39)13-32(3,4)15-26(30)37)18-6-9-21(10-7-18)40-17-19-5-8-20(33)11-22(19)34/h5-11,28H,12-17H2,1-4H3,(H,38,39)InChIKey
CWKWWGOKSLASHN-UHFFFAOYSA-NSynonyms
(9(4((24dichlorobenzyl)oxy)phenyl)3366tetramethyl18dioxo23456789octahydroacridin10(1H)yl)aceticacid
2(9(4((24dichlorophenyl)methoxy)phenyl)3366tetramethyl18dioxo4579tetrahydro2Hacridin10yl)aceticacid
CC1(CC2=C(C(C3=C(N2CC(=O)O)CC(CC3=O)(C)C)C4=CC=C(C=C4)OCC5=C(C=C(C=C5)Cl)Cl)C(=O)C1)C
InChI=1SC32H33Cl2NO5c131(2)122329(25(36)1431)28(3024(35(23)1627(38)39)1332(34)1526(30)37)186921(10718)4017195820(33)1122(19)34h51128H1217H214H3(H3839)
MFCD04083513
OC(=O)CN1C2=C(C(=O)CC(C2)(C)C)C(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)OCc1ccc(cc1Cl)Cl
STK012653
ZINC000100312376
ZINC100312376
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