Vitas-M small molecule compound
[5-bromo-2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)phenoxy]acetic acid
Catalog ID
STL172841
SMILES CCOc1cc(c(cc1OCC(=O)O)Br)C1C2=C(NC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C
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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 C27H32BrNO6 MW 546.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32BrNO6/c1-6-34-20-7-14(15(28)8-21(20)35-13-22(32)33)23-24-16(9-26(2,3)11-18(24)30)29-17-10-27(4,5)12-19(31)25(17)23/h7-8,23,29H,6,9-13H2,1-5H3,(H,32,33)InChIKey
DPIOIWFOJXCRNS-UHFFFAOYSA-NSynonyms
515830-81-6(5bromo2ethoxy4(3366tetramethyl18dioxo12345678910decahydroacridin9yl)phenoxy)aceticacid
2(5bromo2ethoxy4(3366tetramethyl18dioxo2457910hexahydroacridin9yl)phenoxy)aceticacid
515830816
CCOC1=C(C=C(C(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)CC(C4)(C)C)Br)OCC(=O)O
InChI=1SC27H32BrNO6c163420714(15(28)821(20)351322(32)33)232416(926(23)1118(24)30)29171027(45)1219(31)25(17)23h782329H6913H215H3(H3233)
MFCD03758813
ZINC000000696073
ZINC696073
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