Vitas-M small molecule compound
(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK581216
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C
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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 C23H18BrN3O7S MW 560.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O7S/c1-10-25-26-23(35-10)27-18(12-7-13(24)20(29)16(9-12)32-2)17(21(30)22(27)31)19(28)11-3-4-14-15(8-11)34-6-5-33-14/h3-4,7-9,18,28-29H,5-6H2,1-2H3/b19-17+InChIKey
VQSBYYICLNFOHY-HTXNQAPBSA-NSynonyms
(4E)5(3bromo4hydroxy5methoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=C(C(=C5)Br)O)OC
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC23H18BrN3O7Sc110252623(3510)2718(12713(24)20(29)16(912)322)17(21(30)22(27)31)19(28)11341415(811)34653314h3479182829H56H212H3b1917+
MFCD07207693
ZINC000102590194
ZINC000102590203
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