Vitas-M small molecule compound
(1,3-dimethyl-1H-pyrazol-4-yl)methyl 4-nitrobenzoate
Catalog ID
STK331547
SMILES Cn1nc(c(c1)COC(=O)c1ccc(cc1)[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 C13H13N3O4 MW 275.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4/c1-9-11(7-15(2)14-9)8-20-13(17)10-3-5-12(6-4-10)16(18)19/h3-7H,8H2,1-2H3InChIKey
JUHTWRYBSSNGOA-UHFFFAOYSA-NSynonyms
(13dimethyl1Hpyrazol4yl)methyl4nitrobenzoate
(13DIMETHYLPYRAZOL4YL)METHYL4NITROBENZOATE
CC1=NN(C=C1COC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C
Cn1nc(c(c1)COC(=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC13H13N3O4c1911(715(2)149)82013(17)103512(6410)16(18)19h37H8H212H3
MFCD02609657
ZINC000000372727
ZINC00372727
ZINC372727
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