Vitas-M small molecule compound

ethyl 4-acetyl-5-(2,2-dicyanoethenyl)-3-methyl-1H-pyrrole-2-carboxylate

Catalog ID
STK874242
SMILES CCOC(=O)c1[nH]c(c(c1C)C(=O)C)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 C14H13N3O3 MW 271.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O3/c1-4-20-14(19)13-8(2)12(9(3)18)11(17-13)5-10(6-15)7-16/h5,17H,4H2,1-3H3
InChIKey
NQHRFJCJSKWWIM-UHFFFAOYSA-N
Synonyms
384376-20-9
384376209
CCOC(=O)c1(nH)c(c(c1C)C(=O)C)C=C(C#N)C#N
CCOC(=O)C1=C(C(=C(N1)C=C(C#N)C#N)C(=O)C)C
ethyl4acetyl5(22dicyanoethenyl)3methyl1Hpyrrole2carboxylate
ethyl4acetyl5(22dicyanovinyl)3methyl1Hpyrrole2carboxylate
InChI=1SC14H13N3O3c142014(19)138(2)12(9(3)18)11(1713)510(615)716h517H4H213H3
MFCD03285050
ZINC000000547716
ZINC00547716
ZINC547716

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Available files

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