Vitas-M small molecule compound

{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}propanedinitrile

Catalog ID
STK200526
SMILES N#CC(=Cc1cc(n(c1C)c1ccc(cc1)Cl)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 C16H12ClN3 MW 281.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3/c1-11-7-14(8-13(9-18)10-19)12(2)20(11)16-5-3-15(17)4-6-16/h3-8H,1-2H3
InChIKey
QVDUZWHLTNLTOS-UHFFFAOYSA-N
Synonyms

((1(4CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)PROPANEDINITRILE
2((1(4CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)PROPANEDINITRILE
2(1(4CHLOROPHENYL)25DIMETHYL1HPYRROL3YLMETHYLENE)MALONONITRILE
CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C(C#N)C#N
InChI=1SC16H12ClN3c111714(813(918)1019)12(2)20(11)165315(17)4616h38H12H3
MFCD01125902
ZINC000000295199
ZINC00295199
ZINC295199

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Available files

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