Vitas-M small molecule compound

3-(1,3-benzodioxol-5-yl)-5-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole

Catalog ID
STK783110
SMILES [O-][N+](=O)c1nn(c(c1Br)C)Cc1onc(n1)c1ccc2c(c1)OCO2

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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 C14H10BrN5O5 MW 408.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10BrN5O5/c1-7-12(15)14(20(21)22)17-19(7)5-11-16-13(18-25-11)8-2-3-9-10(4-8)24-6-23-9/h2-4H,5-6H2,1H3
InChIKey
DNNBDOHQMYTRHH-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1nn(c(c1Br)C)Cc1onc(n1)c1ccc2c(c1)OCO2
3(13benzodioxol5yl)5((4bromo5methyl3nitro1Hpyrazol1yl)methyl)124oxadiazole
3(13BENZODIOXOL5YL)5((4BROMO5METHYL3NITROPYRAZOL1YL)METHYL)124OXADIAZOLE
CC1=C(C(=NN1CC2=NC(=NO2)C3=CC4=C(C=C3)OCO4)(N+)(=O)(O))Br
InChI=1SC14H10BrN5O5c1712(15)14(20(21)22)1719(7)5111613(182511)823910(48)246239h24H56H21H3
MFCD06617532
ZINC000004744886
ZINC04744886
ZINC4744886

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Available files

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