Vitas-M small molecule compound

ethyl 3-[3-(2,2-dicyanoethenyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate

Catalog ID
STK195878
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C(C#N)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 C19H17N3O2 MW 319.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O2/c1-4-24-19(23)16-6-5-7-18(10-16)22-13(2)8-17(14(22)3)9-15(11-20)12-21/h5-10H,4H2,1-3H3
InChIKey
RTSUALYBXBZRQH-UHFFFAOYSA-N
Synonyms

3(3(22DICYANOVINYL)25DIMETHYLPYRROL1YL)BENZOICACIDETHYLESTER
CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C(C#N)C#N)C
ETHYL3(3(22DICYANOETHENYL)25DIMETHYL1HPYRROL1YL)BENZOATE
ethyl3(3(22dicyanoethenyl)25dimethylpyrrol1yl)benzoate
InChI=1SC19H17N3O2c142419(23)1665718(1016)2213(2)817(14(22)3)915(1120)1221h510H4H213H3
MFCD05239219
ZINC000000920250
ZINC00920250
ZINC920250

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Available files

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