Vitas-M small molecule compound
3-[9-{3-iodo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]propanoic acid
Catalog ID
STK000221
SMILES COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])I)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)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 C34H37IN2O8 MW 728.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37IN2O8/c1-33(2)14-23-30(25(38)16-33)29(31-24(36(23)11-10-28(40)41)15-34(3,4)17-26(31)39)20-12-22(35)32(27(13-20)44-5)45-18-19-6-8-21(9-7-19)37(42)43/h6-9,12-13,29H,10-11,14-18H2,1-5H3,(H,40,41)InChIKey
DSEHSEDRLKLKIT-UHFFFAOYSA-NSynonyms
3(9(3iodo5methoxy4((4nitrobenzyl)oxy)phenyl)3366tetramethyl18dioxo23456789octahydroacridin10(1H)yl)propanoicacid
3(9(3iodo5methoxy4((4nitrophenyl)methoxy)phenyl)3366tetramethyl18dioxo4579tetrahydro2Hacridin10yl)propanoicacid
CC1(CC2=C(C(C3=C(N2CCC(=O)O)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)I)OCC5=CC=C(C=C5)(N+)(=O)(O))OC)C(=O)C1)C
COc1cc(cc(c1OCc1ccc(cc1)(N+)(=O)(O))I)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)CCC(=O)O
InChI=1SC34H37IN2O8c133(2)142330(25(38)1633)29(3124(36(23)111028(40)41)1534(34)1726(31)39)201222(35)32(27(1320)445)4518196821(9719)37(42)43h69121329H10111418H215H3(H4041)
MFCD03725595
STK000221
ZINC000097995604
ZINC97995604
Check stock
See real-time availability and sample size for STK000221 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.