Vitas-M small molecule compound
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK262126
SMILES COc1ccc(cc1)C1=NN(C(=O)C1)c1ccc(cc1)[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 C16H13N3O4 MW 311.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4/c1-23-14-8-2-11(3-9-14)15-10-16(20)18(17-15)12-4-6-13(7-5-12)19(21)22/h2-9H,10H2,1H3InChIKey
DFKUHNYXXNOUCM-UHFFFAOYSA-NSynonyms
5(4methoxyphenyl)2(4nitrophenyl)24dihydro3Hpyrazol3one
5(4methoxyphenyl)2(4nitrophenyl)4Hpyrazol3one
COC1=CC=C(C=C1)C2=NN(C(=O)C2)C3=CC=C(C=C3)(N+)(=O)(O)
COc1ccc(cc1)C1=NN(C(=O)C1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H13N3O4c123148211(3914)151016(20)18(1715)124613(7512)19(21)22h29H10H21H3
MFCD06251873
ZINC000009482112
ZINC9482112
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