Vitas-M small molecule compound

1-benzyl-4-isothiocyanato-3,5-dimethyl-1H-pyrazole

Catalog ID
STK312244
SMILES S=C=Nc1c(C)nn(c1C)Cc1ccccc1

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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 C13H13N3S MW 243.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3S/c1-10-13(14-9-17)11(2)16(15-10)8-12-6-4-3-5-7-12/h3-7H,8H2,1-2H3
InChIKey
RZHWVGHFZBUKRI-UHFFFAOYSA-N
Synonyms
1004193-59-2
1004193592
1benzyl4isothiocyanato35dimethyl1Hpyrazole
1benzyl4isothiocyanato35dimethylpyrazole
35DIMETHYL1BENZYLPYRAZOL4ISOTHIOCYANATE
CC1=C(C(=NN1CC2=CC=CC=C2)C)N=C=S
InChI=1SC13H13N3Sc11013(14917)11(2)16(1510)8126435712h37H8H212H3
MFCD04968753
ZINC000002536599
ZINC02536599
ZINC2536599

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Available files

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