Vitas-M small molecule compound

4-chloro-1-(2-chlorobenzyl)-3-isothiocyanato-1H-pyrazole

Catalog ID
STK312934
SMILES S=C=Nc1nn(cc1Cl)Cc1ccccc1Cl

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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 C11H7Cl2N3S MW 284.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H7Cl2N3S/c12-9-4-2-1-3-8(9)5-16-6-10(13)11(15-16)14-7-17/h1-4,6H,5H2
InChIKey
ANDWQXYRQLKDIS-UHFFFAOYSA-N
Synonyms
1004194-61-9
1004194619
4chloro1((2chlorophenyl)methyl)3isothiocyanatopyrazole
4CHLORO1((2CHLOROPHENYL)METHYL)PYRAZOL3ISOTHIOCYANATE
4CHLORO1(2CHLOROBENZYL)3ISOTHIOCYANATO1H
4chloro1(2chlorobenzyl)3isothiocyanato1Hpyrazole
C1=CC=C(C(=C1)CN2C=C(C(=N2)N=C=S)Cl)Cl
InChI=1SC11H7Cl2N3Sc12942138(9)516610(13)11(1516)14717h146H5H2
MFCD04968689
ZINC000002536535
ZINC02536535
ZINC2536535

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Available files

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