Vitas-M small molecule compound
(4E)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK627433
SMILES COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)[N+](=O)[O-])N(C(=O)C1=O)c1nnc(s1)C)/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 C21H16N4O6S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O6S/c1-11-22-23-21(32-11)24-17(12-3-7-14(8-4-12)25(29)30)16(19(27)20(24)28)18(26)13-5-9-15(31-2)10-6-13/h3-10,17,26H,1-2H3/b18-16+InChIKey
ZYMITXVWBHLENY-FBMGVBCBSA-NSynonyms
371119-67-4(4E)4(hydroxy(4methoxyphenyl)methylidene)1(5methyl134thiadiazol2yl)5(4nitrophenyl)pyrrolidine23dione
371119674
CC1=NN=C(S1)N2C(C(=C(C3=CC=C(C=C3)OC)O)C(=O)C2=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)C(=C1C(c2ccc(cc2)(N+)(=O)(O))N(C(=O)C1=O)c1nnc(s1)C)O
InChI=1SC21H16N4O6Sc111222321(3211)2417(123714(8412)25(29)30)16(19(27)20(24)28)18(26)135915(312)10613h3101726H12H3b1816+
MFCD09796537
ZINC000102729916
ZINC000102729918
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