Vitas-M small molecule compound

3-({[5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile

Catalog ID
STK244451
SMILES C=CCn1c(SCc2cccc(c2)C#N)nnc1c1ccc(cc1)F

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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 C19H15FN4S MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15FN4S/c1-2-10-24-18(16-6-8-17(20)9-7-16)22-23-19(24)25-13-15-5-3-4-14(11-15)12-21/h2-9,11H,1,10,13H2
InChIKey
POKZDHSZLZHFPC-UHFFFAOYSA-N
Synonyms

3(((5(4fluorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
3((5(4FLUOROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYLMETHYL)BENZONITRILE
C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)F
InChI=1SC19H15FN4Sc12102418(166817(20)9716)222319(24)25131553414(1115)1221h2911H11013H2
MFCD06621666
ZINC000004346160
ZINC04346160
ZINC4346160

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Available files

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