Vitas-M small molecule compound
(4E)-1-butyl-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(4-nitrophenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK563465
SMILES CCCCN1C(c2ccc(c(c2)OC)O)/C(=C(/c2ccc(cc2)[N+](=O)[O-])\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 C22H22N2O7 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O7/c1-3-4-11-23-19(14-7-10-16(25)17(12-14)31-2)18(21(27)22(23)28)20(26)13-5-8-15(9-6-13)24(29)30/h5-10,12,19,25-26H,3-4,11H2,1-2H3/b20-18+InChIKey
KVYUWXAWZNKMCJ-CZIZESTLSA-NSynonyms
371212-52-1(4E)1butyl5(4hydroxy3methoxyphenyl)4(hydroxy(4nitrophenyl)methylidene)pyrrolidine23dione
371212521
CCCCN1C(C(=C(C2=CC=C(C=C2)(N+)(=O)(O))O)C(=O)C1=O)C3=CC(=C(C=C3)O)OC
CCCCN1C(c2ccc(c(c2)OC)O)C(=C(c2ccc(cc2)(N+)(=O)(O))O)C(=O)C1=O
InChI=1SC22H22N2O7c134112319(1471016(25)17(1214)312)18(21(27)22(23)28)20(26)135815(9613)24(29)30h51012192526H3411H212H3b2018+
MFCD03797684
ZINC000102520710
ZINC000102520717
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