Vitas-M small molecule compound

4-isothiocyanato-1,3,5-trimethyl-1H-pyrazole

Catalog ID
STK438582
SMILES S=C=Nc1c(C)nn(c1C)C

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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 C7H9N3S MW 167.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H9N3S/c1-5-7(8-4-11)6(2)10(3)9-5/h1-3H3
InChIKey
MLSRXYFSGKBSBA-UHFFFAOYSA-N
Synonyms
63204-11-5
(135TRIMETHYLPYRAZOL4YL)ISOTHIOCYANATE
135TRIMETHYLPYRAZOL4ISOTHIOCYANATE
1HPYRAZOLE4ISOTHIOCYANATO135TRIMETHYL
4isothiocyanato135trimethyl1Hpyrazole
4ISOTHIOCYANATO135TRIMETHYLPYRAZOLE
63204115
CC1=C(C(=NN1C)C)N=C=S
InChI=1SC7H9N3Sc157(8411)6(2)10(3)95h13H3
MFCD03945352
ZINC000006232674
ZINC06232674
ZINC6232674

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Available files

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