Vitas-M small molecule compound

4-isothiocyanato-1-(2-methylbenzyl)-1H-pyrazole

Catalog ID
STK313063
SMILES S=C=Nc1cnn(c1)Cc1ccccc1C

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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 C12H11N3S MW 229.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3S/c1-10-4-2-3-5-11(10)7-15-8-12(6-14-15)13-9-16/h2-6,8H,7H2,1H3
InChIKey
GXLNONUSBFFQHS-UHFFFAOYSA-N
Synonyms
1005614-93-6
1((2METHYLPHENYL)METHYL)PYRAZOL4ISOTHIOCYANATE
1005614936
4isothiocyanato1((2methylphenyl)methyl)pyrazole
4isothiocyanato1(2methylbenzyl)1Hpyrazole
CC1=CC=CC=C1CN2C=C(C=N2)N=C=S
InChI=1SC12H11N3Sc110423511(10)715812(61415)13916h268H7H21H3
MFCD04968730
ZINC000002536576
ZINC02536576
ZINC2536576

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Available files

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