Vitas-M small molecule compound
[9-(3-chloro-4-methoxyphenyl)-1,8-dioxo-2,3,4,5,6,7,8,9-octahydroacridin-10(1H)-yl]acetic acid
Catalog ID
STK393571
SMILES COc1ccc(cc1Cl)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 C22H22ClNO5 MW 415.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO5/c1-29-18-9-8-12(10-13(18)23)20-21-14(4-2-6-16(21)25)24(11-19(27)28)15-5-3-7-17(26)22(15)20/h8-10,20H,2-7,11H2,1H3,(H,27,28)InChIKey
HFNNLFWKEJULIK-UHFFFAOYSA-NSynonyms
(9(3chloro4methoxyphenyl)18dioxo23456789octahydroacridin10(1H)yl)aceticacid
2(9(3chloro4methoxyphenyl)18dioxo234567910octahydroacridin10ium10yl)acetate
COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)(NH+)(C4=C2C(=O)CCC4)CC(=O)(O))Cl
InChI=1SC22H22ClNO5c129189812(1013(18)23)202114(42616(21)25)24(1119(27)28)1553717(26)22(15)20h81020H2711H21H3(H2728)
MFCD03036858
ZINC000019913913
ZINC19913913
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