Vitas-M small molecule compound
methyl 4-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
Catalog ID
STK298477
SMILES COC(=O)c1ccc(cc1)Cn1nc(cc1C)[N+](=O)[O-]
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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 C13H13N3O4 MW 275.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4/c1-9-7-12(16(18)19)14-15(9)8-10-3-5-11(6-4-10)13(17)20-2/h3-7H,8H2,1-2H3InChIKey
FOVJSTWURUAITC-UHFFFAOYSA-NSynonyms
957482-14-34(5METHYL3NITROPYRAZOL1YLMETHYL)BENZOICACIDMETHYLESTER
957482143
BENZOICACID4(5METHYL3NITROPYRAZOL1YLMETHYL)
CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)OC)(N+)(=O)(O)
COC(=O)c1ccc(cc1)Cn1nc(cc1C)(N+)(=O)(O)
InChI=1SC13H13N3O4c19712(16(18)19)1415(9)8103511(6410)13(17)202h37H8H212H3
METHYL4((5METHYL3NITRO1HPYRAZOL1YL)METHYL)BENZOATE
METHYL4((5METHYL3NITROPYRAZOL1YL)METHYL)BENZOATE
METHYL4((5METHYL3NITROPYRAZOLYL)METHYL)BENZOATE
MFCD01853084
ZINC000000550610
ZINC00550610
ZINC550610
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