Vitas-M small molecule compound
2-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4-imino-6,7,11,12-tetrahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Catalog ID
STK589769
SMILES CCOc1cc(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 C25H22BrN3O4 MW 508.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN3O4/c1-2-31-23-10-15(8-19(26)24(23)30)16-11-20-17-12-22-21(32-6-3-7-33-22)9-14(17)4-5-29(20)25(28)18(16)13-27/h8-12,28,30H,2-7H2,1H3/b28-25-InChIKey
CMXMRKDHOPJAAK-FVDSYPCUSA-NSynonyms
879579-21-22(3bromo5ethoxy4hydroxyphenyl)4imino467101112hexahydro(14)dioxepino(23g)pyrido(21a)isoquinoline3carbonitrile
2(3bromo5ethoxy4hydroxyphenyl)4imino671112tetrahydro4H10H(14)dioxepino(23g)pyrido(21a)isoquinoline3carbonitrile
879579212
MFCD07641446
ZINC000101390318
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