Vitas-M small molecule compound

methyl 2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoate

Catalog ID
STK313171
SMILES COC(=O)c1ccccc1Cn1nc(c(c1C)[N+](=O)[O-])C

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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 C14H15N3O4 MW 289.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O4/c1-9-13(17(19)20)10(2)16(15-9)8-11-6-4-5-7-12(11)14(18)21-3/h4-7H,8H2,1-3H3
InChIKey
RINMAGDRXPTEJV-UHFFFAOYSA-N
Synonyms
925634-49-7
925634497
CC1=C(C(=NN1CC2=CC=CC=C2C(=O)OC)C)(N+)(=O)(O)
COC(=O)c1ccccc1Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC14H15N3O4c1913(17(19)20)10(2)16(159)811645712(11)14(18)213h47H8H213H3
methyl2((35dimethyl4nitro1Hpyrazol1yl)methyl)benzoate
METHYL2((35DIMETHYL4NITROPYRAZOL1YL)METHYL)BENZOATE
METHYL2((35DIMETHYL4NITROPYRAZOLYL)METHYL)BENZOATE
MFCD04969146
ZINC000002536972
ZINC02536972
ZINC2536972

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Available files

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