Vitas-M small molecule compound
{9-[4-(benzyloxy)phenyl]-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl}acetic acid
Catalog ID
STK046337
SMILES OC(=O)CN1C2=C(C(=O)CCC2)C(C2=C1CCCC2=O)c1ccc(cc1)OCc1ccccc1
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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 C28H27NO5 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5/c30-23-10-4-8-21-27(23)26(28-22(9-5-11-24(28)31)29(21)16-25(32)33)19-12-14-20(15-13-19)34-17-18-6-2-1-3-7-18/h1-3,6-7,12-15,26H,4-5,8-11,16-17H2,(H,32,33)InChIKey
KBCOSBNKAZWTAL-UHFFFAOYSA-NSynonyms
(9(4(benzyloxy)phenyl)18dioxo23456789octahydroacridin10(1H)yl)aceticacid
2(18dioxo9(4phenylmethoxyphenyl)234567910octahydroacridin10ium10yl)acetate
C1CC2=C(C(C3=C((NH+)2CC(=O)(O))CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)C1
InChI=1SC28H27NO5c302310482127(23)26(2822(951124(28)31)29(21)1625(32)33)19121420(151319)3417186213718h1367121526H458111617H2(H3233)
MFCD03044637
OC(=O)CN1C2=C(C(=O)CCC2)C(C2=C1CCCC2=O)c1ccc(cc1)OCc1ccccc1
STK046337
ZINC000019913903
ZINC19913903
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