Vitas-M small molecule compound

2-(3,4-diethoxyphenyl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile

Catalog ID
STK589281
SMILES CCOc1cc(ccc1OCC)c1cc2c3cc4OCOc4cc3CCn2c(=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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-3-29-21-6-5-15(9-22(21)30-4-2)17-11-20-18-12-24-23(31-14-32-24)10-16(18)7-8-28(20)25(27)19(17)13-26/h5-6,9-12,27H,3-4,7-8,14H2,1-2H3/b27-25-
InChIKey
IIKGGTNOZYXPLC-RFBIWTDZSA-N
Synonyms

2(34diethoxyphenyl)4imino67dihydro4H(13)dioxolo(45g)pyrido(21a)isoquinoline3carbonitrile
MFCD06789725
ZINC000101357899

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.