Vitas-M small molecule compound

1-(2-chloro-6-fluorobenzyl)-3-isothiocyanato-1H-pyrazole

Catalog ID
STK312789
SMILES S=C=Nc1ccn(n1)Cc1c(F)cccc1Cl

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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 C11H7ClFN3S MW 267.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H7ClFN3S/c12-9-2-1-3-10(13)8(9)6-16-5-4-11(15-16)14-7-17/h1-5H,6H2
InChIKey
MKXPGZKIAJYXIM-UHFFFAOYSA-N
Synonyms
1005697-84-6
1((2CHLORO6FLUOROPHENYL)METHYL)3ISOTHIOCYANATO1HPYRAZOLE
1((2chloro6fluorophenyl)methyl)3isothiocyanatopyrazole
1((2CHLORO6FLUOROPHENYL)METHYL)PYRAZOL3ISOTHIOCYANATE
1(2chloro6fluorobenzyl)3isothiocyanato1Hpyrazole
1005697846
C1=CC(=C(C(=C1)Cl)CN2C=CC(=N2)N=C=S)F
InChI=1SC11H7ClFN3Sc12921310(13)8(9)6165411(1516)14717h15H6H2
MFCD04968675
ZINC000002536521
ZINC02536521
ZINC2536521

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Available files

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