Vitas-M small molecule compound
(4E)-1-butyl-4-[hydroxy(4-methoxyphenyl)methylidene]-5-(2-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK577794
SMILES CCCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC)/O)/C1c1ccccc1[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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-3-4-13-23-19(16-7-5-6-8-17(16)24(28)29)18(21(26)22(23)27)20(25)14-9-11-15(30-2)12-10-14/h5-12,19,25H,3-4,13H2,1-2H3/b20-18+InChIKey
YKKVDLBNEKUVOR-CZIZESTLSA-NSynonyms
332170-21-5(4E)1butyl4(hydroxy(4methoxyphenyl)methylidene)5(2nitrophenyl)pyrrolidine23dione
332170215
CCCCN1C(=O)C(=O)C(=C(c2ccc(cc2)OC)O)C1c1ccccc1(N+)(=O)(O)
CCCCN1C(C(=C(C2=CC=C(C=C2)OC)O)C(=O)C1=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC22H22N2O6c134132319(16756817(16)24(28)29)18(21(26)22(23)27)20(25)1491115(302)121014h5121925H3413H212H3b2018+
MFCD07198193
ZINC000102582412
ZINC000102582417
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