Vitas-M small molecule compound

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

Catalog ID
STK001142
SMILES COC(=O)c1cccc(c1)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)9-4-2-3-8(5-9)6-15-7-10(13)11(14-15)16(18)19/h2-5,7H,6H2,1H3
InChIKey
CRYLFHKKVIRBLU-UHFFFAOYSA-N
Synonyms
313050-20-3
313050203
COC(=O)C1=CC(=CC=C1)CN2C=C(C(=N2)(N+)(=O)(O))Br
COC(=O)c1cccc(c1)Cn1cc(c(n1)(N+)(=O)(O))Br
COC(=O)c1cccc(c1)Cn1cc(c(n1)N(=O)=O)Br
InChI=1SC12H10BrN3O4c12012(17)94238(59)615710(13)11(1415)16(18)19h257H6H21H3
METHYL3((4BROMO3NITRO1HPYRAZOL1YL)METHYL)BENZOATE
METHYL3((4BROMO3NITROPYRAZOL1YL)METHYL)BENZOATE
MFCD01855524
STK001142
ZINC000000546943
ZINC00546943
ZINC546943

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Available files

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