Vitas-M small molecule compound
2-(3-ethoxy-4-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
STK581239
SMILES CCOc1cc(ccc1OC)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 C26H25N3O4 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O4/c1-3-31-23-11-16(5-6-22(23)30-2)18-13-21-19-14-25-24(32-9-4-10-33-25)12-17(19)7-8-29(21)26(28)20(18)15-27/h5-6,11-14,28H,3-4,7-10H2,1-2H3/b28-26-InChIKey
FUPIRSOMRWPANW-SGEDCAFJSA-NSynonyms
2(3ethoxy4methoxyphenyl)4imino467101112hexahydro(14)dioxepino(23g)pyrido(21a)isoquinoline3carbonitrile
2(3ethoxy4methoxyphenyl)4imino671112tetrahydro4H10H(14)dioxepino(23g)pyrido(21a)isoquinoline3carbonitrile
MFCD07640768
ZINC000101386529
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