Vitas-M small molecule compound

{[(4-fluorophenyl)amino][(2-oxo-2-phenylethyl)sulfanyl]methylidene}propanedinitrile

Catalog ID
STK594042
SMILES N#CC(=C(Nc1ccc(cc1)F)SCC(=O)c1ccccc1)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 C18H12FN3OS MW 337.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12FN3OS/c19-15-6-8-16(9-7-15)22-18(14(10-20)11-21)24-12-17(23)13-4-2-1-3-5-13/h1-9,22H,12H2
InChIKey
BYTVQGOZTDITOR-UHFFFAOYSA-N
Synonyms
489441-61-4
(((4fluorophenyl)amino)((2oxo2phenylethyl)sulfanyl)methylidene)propanedinitrile
2(((4fluorophenyl)amino)((2oxo2phenylethyl)thio)methylene)malononitrile
2((4FLUOROANILINO)PHENACYLSULFANYLMETHYLIDENE)PROPANEDINITRILE
489441614
C1=CC=C(C=C1)C(=O)CSC(=C(C#N)C#N)NC2=CC=C(C=C2)F
InChI=1SC18H12FN3OSc19156816(9715)2218(14(1020)1121)241217(23)134213513h1922H12H2
MFCD03297213
ZINC000002272979
ZINC02272979
ZINC2272979

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Available files

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