Vitas-M small molecule compound

1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazole

Catalog ID
STK743968
SMILES Cc1nn(c(c1)C)Cc1cc2OCOc2cc1Br

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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 C13H13BrN2O2 MW 309.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13BrN2O2/c1-8-3-9(2)16(15-8)6-10-4-12-13(5-11(10)14)18-7-17-12/h3-5H,6-7H2,1-2H3
InChIKey
NRJJWBQCNSDFHT-UHFFFAOYSA-N
Synonyms

1((6bromo13benzodioxol5yl)methyl)35dimethyl1Hpyrazole
1((6BROMO13BENZODIOXOL5YL)METHYL)35DIMETHYLPYRAZOLE
CC1=CC(=NN1CC2=CC3=C(C=C2Br)OCO3)C
InChI=1SC13H13BrN2O2c1839(2)16(158)61041213(511(10)14)1871712h35H67H212H3
MFCD06017024
ZINC000004727794
ZINC04727794
ZINC4727794

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Available files

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