Vitas-M small molecule compound
[9-{3-bromo-5-ethoxy-4-[(4-methylbenzyl)oxy]phenyl}-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]acetic acid
Catalog ID
STK727636
SMILES CCOc1cc(cc(c1OCc1ccc(cc1)C)Br)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)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 C31H32BrNO6 MW 594.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32BrNO6/c1-3-38-26-15-20(14-21(32)31(26)39-17-19-12-10-18(2)11-13-19)28-29-22(6-4-8-24(29)34)33(16-27(36)37)23-7-5-9-25(35)30(23)28/h10-15,28H,3-9,16-17H2,1-2H3,(H,36,37)InChIKey
CHDIOSFQCHOYTG-UHFFFAOYSA-NSynonyms
(9(3bromo5ethoxy4((4methylbenzyl)oxy)phenyl)18dioxo23456789octahydroacridin10(1H)yl)aceticacid
2(9(3bromo5ethoxy4((4methylbenzyl)oxy)phenyl)18dioxo12345678octahydroacridin10(9H)yl)aceticacid
2(9(3bromo5ethoxy4((4methylphenyl)methoxy)phenyl)18dioxo345679hexahydro2Hacridin10yl)aceticacid
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)CC(=O)O)Br)OCC5=CC=C(C=C5)C
InChI=1SC31H32BrNO6c1338261520(1421(32)31(26)391719121018(2)111319)282922(64824(29)34)33(1627(36)37)2375925(35)30(23)28h101528H391617H212H3(H3637)
MFCD03082263
ZINC000000660397
ZINC660397
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