Vitas-M small molecule compound
[9-{4-[(2,4-dichlorobenzyl)oxy]-3-iodo-5-methoxyphenyl}-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]acetic acid
Catalog ID
STK069158
SMILES COc1cc(cc(c1OCc1ccc(cc1Cl)Cl)I)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)CC(=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 C33H34Cl2INO6 MW 738.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34Cl2INO6/c1-32(2)11-22-29(24(38)13-32)28(30-23(37(22)15-27(40)41)12-33(3,4)14-25(30)39)18-8-21(36)31(26(9-18)42-5)43-16-17-6-7-19(34)10-20(17)35/h6-10,28H,11-16H2,1-5H3,(H,40,41)InChIKey
SVCXGWZROFYNIZ-UHFFFAOYSA-NSynonyms
(9(4((24dichlorobenzyl)oxy)3iodo5methoxyphenyl)3366tetramethyl18dioxo23456789octahydroacridin10(1H)yl)aceticacid
2(9(4((24dichlorophenyl)methoxy)3iodo5methoxyphenyl)3366tetramethyl18dioxo4579tetrahydro2Hacridin10yl)aceticacid
CC1(CC2=C(C(C3=C(N2CC(=O)O)CC(CC3=O)(C)C)C4=CC(=C(C(=C4)I)OCC5=C(C=C(C=C5)Cl)Cl)OC)C(=O)C1)C
COc1cc(cc(c1OCc1ccc(cc1Cl)Cl)I)C1C2=C(CC(CC2=O)(C)C)N(C2=C1C(=O)CC(C2)(C)C)CC(=O)O
InChI=1SC33H34Cl2INO6c132(2)112229(24(38)1332)28(3023(37(22)1527(40)41)1233(34)1425(30)39)18821(36)31(26(918)425)4316176719(34)1020(17)35h61028H1116H215H3(H4041)
MFCD03082247
STK069158
ZINC000008437880
ZINC8437880
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.