Vitas-M small molecule compound
2-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-4-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL403754
SMILES O=C1c2cccc(c2C(=O)N1c1c(C)nn(c1C)Cc1ccccc1)[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 C20H16N4O4 MW 376.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4/c1-12-18(13(2)22(21-12)11-14-7-4-3-5-8-14)23-19(25)15-9-6-10-16(24(27)28)17(15)20(23)26/h3-10H,11H2,1-2H3InChIKey
ZJPYGBMYMCHHHM-UHFFFAOYSA-NSynonyms
1006683-73-31006683733
2(1benzyl35dimethyl1Hpyrazol4yl)4nitro1Hisoindole13(2H)dione
2(1benzyl35dimethylpyrazol4yl)4nitroisoindole13dione
CC1=C(C(=NN1CC2=CC=CC=C2)C)N3C(=O)C4=C(C3=O)C(=CC=C4)(N+)(=O)(O)
InChI=1SC20H16N4O4c11218(13(2)22(2112)11147435814)2319(25)15961016(24(27)28)17(15)20(23)26h310H11H212H3
MFCD08553955
O=C1c2cccc(c2C(=O)N1c1c(C)nn(c1C)Cc1ccccc1)(N+)(=O)(O)
ZINC000017076922
ZINC17076922
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