Vitas-M small molecule compound
9-{3-chloro-4-[(3-fluorobenzyl)oxy]-5-methoxyphenyl}-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
Catalog ID
STL378993
SMILES COc1cc(cc(c1OCc1cccc(c1)F)Cl)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 C27H25ClFNO4 MW 481.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClFNO4/c1-33-23-13-16(12-18(28)27(23)34-14-15-5-2-6-17(29)11-15)24-25-19(7-3-9-21(25)31)30-20-8-4-10-22(32)26(20)24/h2,5-6,11-13,24,30H,3-4,7-10,14H2,1H3InChIKey
OOOBGDOIOAOOFU-UHFFFAOYSA-NSynonyms
9(3chloro4((3fluorobenzyl)oxy)5methoxyphenyl)3467910hexahydroacridine18(2H5H)dione
9(3chloro4((3fluorophenyl)methoxy)5methoxyphenyl)234567910octahydroacridine18dione
COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4)Cl)OCC5=CC(=CC=C5)F
InChI=1SC27H25ClFNO4c133231316(1218(28)27(23)34141552617(29)1115)242519(73921(25)31)3020841022(32)26(20)24h25611132430H3471014H21H3
MFCD03271858
ZINC000001408518
ZINC01408518
ZINC1408518
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