Vitas-M small molecule compound
(4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(3-methoxypropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL045548
SMILES COCCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)C)\O)/C(=O)C1=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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-14-7-9-15(10-8-14)20(25)18-19(16-5-3-6-17(13-16)24(28)29)23(11-4-12-30-2)22(27)21(18)26/h3,5-10,13,19,25H,4,11-12H2,1-2H3/b20-18+InChIKey
VNKZBENTLJZTIX-CZIZESTLSA-NSynonyms
(4E)4(hydroxy(4methylphenyl)methylidene)1(3methoxypropyl)5(3nitrophenyl)pyrrolidine23dione
3HYDROXY1(3METHOXYPROPYL)4((4METHYLPHENYL)CARBONYL)5(3NITROPHENYL)25DIHYDRO1HPYRROL2ONE
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCOC)C3=CC(=CC=C3)(N+)(=O)(O))O
COCCCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(cc2)C)O)C(=O)C1=O
InChI=1SC22H22N2O6c1147915(10814)20(25)1819(1653617(1316)24(28)29)23(11412302)22(27)21(18)26h3510131925H41112H212H3b2018+
MFCD03796638
ZINC000102878693
ZINC000102878696
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