Vitas-M small molecule compound
3-isothiocyanato-1-(2-methylbenzyl)-1H-pyrazole
Catalog ID
STK313284
SMILES S=C=Nc1ccn(n1)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)8-15-7-6-12(14-15)13-9-16/h2-7H,8H2,1H3InChIKey
ZHSMXGIERRISNV-UHFFFAOYSA-NSynonyms
1004193-32-11((2METHYLPHENYL)METHYL)PYRAZOL3ISOTHIOCYANATE
1004193321
3isothiocyanato1((2methylphenyl)methyl)pyrazole
3isothiocyanato1(2methylbenzyl)1Hpyrazole
CC1=CC=CC=C1CN2C=CC(=N2)N=C=S
InChI=1SC12H11N3Sc110423511(10)8157612(1415)13916h27H8H21H3
MFCD04968706
ZINC000002536552
ZINC02536552
ZINC2536552
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