Vitas-M small molecule compound

methyl 4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoate

Catalog ID
STK028946
SMILES COC(=O)c1ccc(cc1)Cn1cc(c(n1)N(=O)=O)Br

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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 C12H10BrN3O4 MW 340.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10BrN3O4/c1-20-12(17)9-4-2-8(3-5-9)6-15-7-10(13)11(14-15)16(18)19/h2-5,7H,6H2,1H3
InChIKey
ZXUIGLGTZJQRJG-UHFFFAOYSA-N
Synonyms
386736-96-5
386736965
COC(=O)C1=CC=C(C=C1)CN2C=C(C(=N2)(N+)(=O)(O))Br
COC(=O)c1ccc(cc1)Cn1cc(c(n1)(N+)(=O)(O))Br
COC(=O)c1ccc(cc1)Cn1cc(c(n1)N(=O)=O)Br
InChI=1SC12H10BrN3O4c12012(17)9428(359)615710(13)11(1415)16(18)19h257H6H21H3
METHYL4((4BROMO3NITRO1HPYRAZOL1YL)METHYL)BENZOATE
METHYL4((4BROMO3NITROPYRAZOL1YL)METHYL)BENZOATE
MFCD01853543
STK028946
ZINC000000548200
ZINC00548200
ZINC548200

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.