Vitas-M small molecule compound

4-{[4-(1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)phenoxy]methyl}benzoic acid

Catalog ID
STK070208
SMILES OC(=O)c1ccc(cc1)COc1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2

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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 C27H25NO5 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5/c29-22-5-1-3-20-25(22)24(26-21(28-20)4-2-6-23(26)30)17-11-13-19(14-12-17)33-15-16-7-9-18(10-8-16)27(31)32/h7-14,24,28H,1-6,15H2,(H,31,32)
InChIKey
WWXYMMYKNAAPGU-UHFFFAOYSA-N
Synonyms

4((4(18dioxo12345678910decahydroacridin9yl)phenoxy)methyl)benzoicacid
4((4(18dioxo234567910octahydroacridin9yl)phenoxy)methyl)benzoicacid
C1CC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=C(C=C5)C(=O)O)C(=O)C1
InChI=1SC27H25NO5c29225132025(22)24(2621(2820)42623(26)30)17111319(141217)3315167918(10816)27(31)32h7142428H1615H2(H3132)
MFCD04126491
OC(=O)c1ccc(cc1)COc1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2
STK070208
ZINC000020146456
ZINC20146456

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Available files

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