Vitas-M small molecule compound
4-{[4-bromo-2-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)phenoxy]methyl}benzoic acid
Catalog ID
STK080938
SMILES Brc1ccc(c(c1)C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2)OCc1ccc(cc1)C(=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 C27H24BrNO5 MW 522.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24BrNO5/c28-17-11-12-23(34-14-15-7-9-16(10-8-15)27(32)33)18(13-17)24-25-19(3-1-5-21(25)30)29-20-4-2-6-22(31)26(20)24/h7-13,24,29H,1-6,14H2,(H,32,33)InChIKey
YVNQDXVBYAQSRL-UHFFFAOYSA-NSynonyms
4((4bromo2(18dioxo12345678910decahydroacridin9yl)phenoxy)methyl)benzoicacid
4((4bromo2(18dioxo234567910octahydroacridin9yl)phenoxy)methyl)benzoicacid
Brc1ccc(c(c1)C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2)OCc1ccc(cc1)C(=O)O
C1CC2=C(C(C3=C(N2)CCCC3=O)C4=C(C=CC(=C4)Br)OCC5=CC=C(C=C5)C(=O)O)C(=O)C1
InChI=1SC27H24BrNO5c2817111223(3414157916(10815)27(32)33)18(1317)242519(31521(25)30)292042622(31)26(20)24h7132429H1614H2(H3233)
MFCD03725592
STK080938
ZINC000020149850
ZINC20149850
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