Vitas-M small molecule compound

ethyl cyano[2,2-dicyano-4,4-dimethyl-3-(propan-2-yl)cyclobutyl]acetate

Catalog ID
STK072781
SMILES CCOC(=O)C(C1C(C)(C)C(C1(C#N)C#N)C(C)C)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 C16H21N3O2 MW 287.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O2/c1-6-21-14(20)11(7-17)13-15(4,5)12(10(2)3)16(13,8-18)9-19/h10-13H,6H2,1-5H3
InChIKey
ZGZPVZDVNPMSIX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C(C#N)C1C(C(C1(C#N)C#N)C(C)C)(C)C
CCOC(=O)C(C1C(C)(C)C(C1(C#N)C#N)C(C)C)C#N
ETHYL2CYANO2(22DICYANO44DIMETHYL3PROPAN2YLCYCLOBUTYL)ACETATE
ETHYLCYANO(22DICYANO44DIMETHYL3(PROPAN2YL)CYCLOBUTYL)ACETATE
InChI=1SC16H21N3O2c162114(20)11(717)1315(45)12(10(2)3)16(13818)919h1013H6H215H3
MFCD03030703
STK072781
ZINC000004599874
ZINC000023477895

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Available files

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