Vitas-M small molecule compound

(4-chlorophenyl)(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)acetonitrile

Catalog ID
STK125066
SMILES N#CC(N1N=C(CC1(C)C)C)c1ccc(cc1)Cl

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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 C14H16ClN3 MW 261.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16ClN3/c1-10-8-14(2,3)18(17-10)13(9-16)11-4-6-12(15)7-5-11/h4-7,13H,8H2,1-3H3
InChIKey
CNBQIBOSSWXEKL-UHFFFAOYSA-N
Synonyms

(2R)(4CHLOROPHENYL)(355TRIMETHYL45DIHYDRO1HPYRAZOL1YL)ETHANENITRILE
(4CHLOROPHENYL)(355TRIMETHYL45DIHYDRO1HPYRAZOL1YL)ACETONITRILE
2(4CHLOROPHENYL)2(355TRIMETHYL4HPYRAZOL1YL)ACETONITRILE
CC1=NN(C(C1)(C)C)C(C#N)C2=CC=C(C=C2)Cl
InChI=1SC14H16ClN3c110814(23)18(1710)13(916)114612(15)7511h4713H8H213H3
MFCD04368936
ZINC000001424761
ZINC000001424763

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Available files

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