Vitas-M small molecule compound
[9-(4-chlorophenyl)-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]acetic acid
Catalog ID
STK147821
SMILES OC(=O)CN1C2=C(C(=O)CCC2)C(C2=C1CCCC2=O)c1ccc(cc1)Cl
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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 C21H20ClNO4 MW 385.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO4/c22-13-9-7-12(8-10-13)19-20-14(3-1-5-16(20)24)23(11-18(26)27)15-4-2-6-17(25)21(15)19/h7-10,19H,1-6,11H2,(H,26,27)InChIKey
BJQDGWTWLWOFQW-UHFFFAOYSA-NSynonyms
(9(4chlorophenyl)18dioxo23456789octahydroacridin10(1H)yl)aceticacid
2(9(4chlorophenyl)18dioxo234567910octahydroacridin10ium10yl)acetate
C1CC2=C(C(C3=C((NH+)2CC(=O)(O))CCCC3=O)C4=CC=C(C=C4)Cl)C(=O)C1
InChI=1SC21H20ClNO4c22139712(81013)192014(31516(20)24)23(1118(26)27)1542617(25)21(15)19h71019H1611H2(H2627)
MFCD04336585
ZINC000019842845
ZINC19842845
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