Vitas-M small molecule compound
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Catalog ID
STK584763
SMILES COc1cc(cc(c1O)Br)c1cc2c3cc4OCCCOc4cc3CCn2c(=N)c1C#N
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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 C24H20BrN3O4 MW 494.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrN3O4/c1-30-22-9-14(7-18(25)23(22)29)15-10-19-16-11-21-20(31-5-2-6-32-21)8-13(16)3-4-28(19)24(27)17(15)12-26/h7-11,27,29H,2-6H2,1H3/b27-24-InChIKey
NAFVCSVHYPGXHC-PNHLSOANSA-NSynonyms
879765-93-22(3bromo4hydroxy5methoxyphenyl)4imino467101112hexahydro(14)dioxepino(23g)pyrido(21a)isoquinoline3carbonitrile
2(3bromo4hydroxy5methoxyphenyl)4imino671112tetrahydro4H10H(14)dioxepino(23g)pyrido(21a)isoquinoline3carbonitrile
879765932
MFCD07640866
ZINC000101140831
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