Vitas-M small molecule compound

ethyl 2-amino-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate

Catalog ID
STL328449
SMILES CCOC(=O)c1n2CCCCCc2c(c1N)C#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 C13H17N3O2 MW 247.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O2/c1-2-18-13(17)12-11(15)9(8-14)10-6-4-3-5-7-16(10)12/h2-7,15H2,1H3
InChIKey
GOBOLQOWNZUPJU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C(=C2N1CCCCC2)C#N)N
ethyl2amino1cyano6789tetrahydro5Hpyrrolo(12a)azepine3carboxylate
InChI=1SC13H17N3O2c121813(17)1211(15)9(814)106435716(10)12h2715H21H3
MFCD00846478
ZINC000000179154
ZINC00179154
ZINC179154

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Available files

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