Vitas-M small molecule compound
1-(3-chlorobenzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole
Catalog ID
STK312836
SMILES S=C=Nc1c(C)nn(c1C)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 C13H12ClN3S MW 277.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12ClN3S/c1-9-13(15-8-18)10(2)17(16-9)7-11-4-3-5-12(14)6-11/h3-6H,7H2,1-2H3InChIKey
ZSIUNILRJSJCBF-UHFFFAOYSA-NSynonyms
1004644-12-51((3CHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4ISOTHIOCYANATE
1((3chlorophenyl)methyl)4isothiocyanato35dimethylpyrazole
1(3CHLOROBENZYL)4ISOTHIOCYANATO35DIMETHYL
1(3chlorobenzyl)4isothiocyanato35dimethyl1Hpyrazole
1004644125
CC1=C(C(=NN1CC2=CC(=CC=C2)Cl)C)N=C=S
InChI=1SC13H12ClN3Sc1913(15818)10(2)17(169)71143512(14)611h36H7H212H3
MFCD04971134
ZINC000002538889
ZINC02538889
ZINC2538889
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