Vitas-M small molecule compound
(4E)-4-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-1-(2-methoxyethyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL045175
SMILES COCCN1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1ccc(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 C22H22N2O7 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O7/c1-13-12-15(6-9-17(13)31-3)20(25)18-19(14-4-7-16(8-5-14)24(28)29)23(10-11-30-2)22(27)21(18)26/h4-9,12,19,25H,10-11H2,1-3H3/b20-18+InChIKey
YFNPCRIJTXHIDO-CZIZESTLSA-NSynonyms
(4E)4(hydroxy(4methoxy3methylphenyl)methylidene)1(2methoxyethyl)5(4nitrophenyl)pyrrolidine23dione
3HYDROXY4((4METHOXY3METHYLPHENYL)CARBONYL)1(2METHOXYETHYL)5(4NITROPHENYL)25DIHYDRO1HPYRROL2ONE
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCOC)C3=CC=C(C=C3)(N+)(=O)(O))O)OC
COCCN1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)O)C1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H22N2O7c1131215(6917(13)313)20(25)1819(144716(8514)24(28)29)23(1011302)22(27)21(18)26h49121925H1011H213H3b2018+
MFCD03813279
ZINC000102877344
ZINC000102877347
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