Vitas-M small molecule compound
1-(3-chlorobenzyl)-4-isothiocyanato-1H-pyrazole
Catalog ID
STK313247
SMILES S=C=Nc1cnn(c1)Cc1cccc(c1)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 C11H8ClN3S MW 249.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8ClN3S/c12-10-3-1-2-9(4-10)6-15-7-11(5-14-15)13-8-16/h1-5,7H,6H2InChIKey
LOWHIAJORHFKRN-UHFFFAOYSA-NSynonyms
1004193-35-41((3chlorophenyl)methyl)4isothiocyanatopyrazole
1((3CHLOROPHENYL)METHYL)PYRAZOL4ISOTHIOCYANATE
1(3chlorobenzyl)4isothiocyanato1Hpyrazole
1004193354
C1=CC(=CC(=C1)Cl)CN2C=C(C=N2)N=C=S
InChI=1SC11H8ClN3Sc12103129(410)615711(51415)13816h157H6H2
MFCD04968718
ZINC000002536564
ZINC02536564
ZINC2536564
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