Vitas-M small molecule compound
(4Z)-1-(3,4-dimethylphenyl)-4-{[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
Catalog ID
STL430976
SMILES O=C1NN(C(=O)/C/1=C\c1ccc(o1)c1cc(ccc1O)[N+](=O)[O-])c1ccc(c(c1)C)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 C22H17N3O6 MW 419.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O6/c1-12-3-4-14(9-13(12)2)24-22(28)18(21(27)23-24)11-16-6-8-20(31-16)17-10-15(25(29)30)5-7-19(17)26/h3-11,26H,1-2H3,(H,23,27)/b18-11-InChIKey
JKFICPIMSFBOJJ-WQRHYEAKSA-NSynonyms
(4Z)1(34dimethylphenyl)4((5(2hydroxy5nitrophenyl)furan2yl)methylidene)pyrazolidine35dione
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)(N+)(=O)(O))O)C(=O)N2)C
InChI=1SC22H17N3O6c1123414(913(12)2)2422(28)18(21(27)2324)11166820(3116)171015(25(29)30)5719(17)26h31126H12H3(H2327)b1811
MFCD01363475
O=C1NN(C(=O)C1=Cc1ccc(o1)c1cc(ccc1O)(N+)(=O)(O))c1ccc(c(c1)C)C
ZINC000036042412
ZINC36042412
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