Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

Catalog ID
STK342621
SMILES O=C(Cn1nc(c(c1C)Br)[N+](=O)[O-])Nc1ccc2c(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 C13H11BrN4O5 MW 383.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11BrN4O5/c1-7-12(14)13(18(20)21)16-17(7)5-11(19)15-8-2-3-9-10(4-8)23-6-22-9/h2-4H,5-6H2,1H3,(H,15,19)
InChIKey
XJLCFTACKSVKNQ-UHFFFAOYSA-N
Synonyms
353455-53-5
353455535
CC1=C(C(=NN1CC(=O)NC2=CC3=C(C=C2)OCO3)(N+)(=O)(O))Br
InChI=1SC13H11BrN4O5c1712(14)13(18(20)21)1617(7)511(19)15823910(48)236229h24H56H21H3(H1519)
MFCD00808830
N(13BENZODIOXOL5YL)2(4BROMO5METHYL3NITRO1HPYRAZOL1YL)ACETAMIDE
N(13BENZODIOXOL5YL)2(4BROMO5METHYL3NITROPYRAZOL1YL)ACETAMIDE
N(2HBENZO(D)13DIOXOLEN5YL)2(4BROMO5METHYL3NITROPYRAZOLYL)ACETAMIDE
N(benzo(d)(13)dioxol5yl)2(4bromo5methyl3nitro1Hpyrazol1yl)acetamide
NBENZO(13)DIOXOL5YL2(4BROMO5METHYL3NITROPYRAZOL1YL)ACETAMIDE
O=C(Cn1nc(c(c1C)Br)(N+)(=O)(O))Nc1ccc2c(c1)OCO2
ZINC000000826480
ZINC00826480
ZINC826480

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Available files

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