Vitas-M small molecule compound

(2E)-3-(2-chlorophenyl)-N,N-bis(cyanomethyl)prop-2-enamide

Catalog ID
STK043135
SMILES N#CCN(C(=O)/C=C/c1ccccc1Cl)CC#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 C13H10ClN3O MW 259.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10ClN3O/c14-12-4-2-1-3-11(12)5-6-13(18)17(9-7-15)10-8-16/h1-6H,9-10H2/b6-5+
InChIKey
JEEKSWUFEUXBOL-AATRIKPKSA-N
Synonyms
347331-82-2
(2E)3(2CHLOROPHENYL)NNBIS(CYANOMETHYL)PROP2ENAMIDE
(E)3(2CHLOROPHENYL)NNBIS(CYANOMETHYL)PROP2ENAMIDE
347331822
C1=CC=C(C(=C1)C=CC(=O)N(CC#N)CC#N)Cl
InChI=1SC13H10ClN3Oc1412421311(12)5613(18)17(9715)10816h16H910H2b65+
MFCD02188843
N#CCN(C(=O)C=Cc1ccccc1Cl)CC#N
STK043135
ZINC000004508034
ZINC04508034
ZINC4508034

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Available files

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