Vitas-M small molecule compound
1-(4-fluorobenzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole
Catalog ID
STK312177
SMILES S=C=Nc1c(C)nn(c1C)Cc1ccc(cc1)F
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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 C13H12FN3S MW 261.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12FN3S/c1-9-13(15-8-18)10(2)17(16-9)7-11-3-5-12(14)6-4-11/h3-6H,7H2,1-2H3InChIKey
FLOHGHPFAPCJQY-UHFFFAOYSA-NSynonyms
1004193-64-91((4FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4ISOTHIOCYANATE
1((4fluorophenyl)methyl)4isothiocyanato35dimethylpyrazole
1(4FLUOROBENZYL)4ISOTHIOCYANATO35DIMETHYL
1(4fluorobenzyl)4isothiocyanato35dimethyl1Hpyrazole
1004193649
CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)N=C=S
InChI=1SC13H12FN3Sc1913(15818)10(2)17(169)7113512(14)6411h36H7H212H3
MFCD04968756
ZINC000002536602
ZINC02536602
ZINC2536602
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