Vitas-M small molecule compound

2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5,6,7,8-tetrahydroindolizine-1-carbonitrile

Catalog ID
STK692701
SMILES N#Cc1c2CCCCn2c(c1N)C(=O)c1ccc2c(c1)OCCO2

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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 C18H17N3O3 MW 323.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3/c19-10-12-13-3-1-2-6-21(13)17(16(12)20)18(22)11-4-5-14-15(9-11)24-8-7-23-14/h4-5,9H,1-3,6-8,20H2
InChIKey
JBGCKBVRUNNTEJ-UHFFFAOYSA-N
Synonyms
924861-89-2
2amino3(23dihydro14benzodioxin6ylcarbonyl)5678tetrahydroindolizine1carbonitrile
2amino3(23dihydro14benzodioxine6carbonyl)5678tetrahydroindolizine1carbonitrile
924861892
C1CCN2C(=C(C(=C2C(=O)C3=CC4=C(C=C3)OCCO4)N)C#N)C1
InChI=1SC18H17N3O3c19101213312621(13)17(16(12)20)18(22)11451415(911)24872314h459H136820H2
MFCD09028302
ZINC000012375070
ZINC12375070

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Available files

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