Vitas-M small molecule compound

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

Catalog ID
STK349435
SMILES S=C=Nc1ccn(n1)Cc1ccc(cc1)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/c12-10-3-1-9(2-4-10)7-15-6-5-11(14-15)13-8-16/h1-6H,7H2
InChIKey
MFSGNFGHKOLFFH-UHFFFAOYSA-N
Synonyms
588695-59-4
1((4CHLOROPHENYL)METHYL)3ISOTHIOCYANATOPYRAZOLE
1((4CHLOROPHENYL)METHYL)PYRAZOL3ISOTHIOCYANATE
1(4chlorobenzyl)3isothiocyanato1Hpyrazole
588695594
C1=CC(=CC=C1CN2C=CC(=N2)N=C=S)Cl
InChI=1SC11H8ClN3Sc1210319(2410)7156511(1415)13816h16H7H2
MFCD03944638
ZINC000002522247
ZINC02522247
ZINC2522247

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Available files

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