Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methylphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK585638
SMILES Cc1ccc(cc1)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 C23H19N3O5S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S/c1-12-3-5-14(6-4-12)19-18(21(28)22(29)26(19)23-25-24-13(2)32-23)20(27)15-7-8-16-17(11-15)31-10-9-30-16/h3-8,11,19,27H,9-10H2,1-2H3/b20-18+InChIKey
HFYNWYMARQHYQQ-CZIZESTLSA-NSynonyms
573939-51-2(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4methylphenyl)1(5methyl134thiadiazol2yl)pyrrolidine23dione
573939512
CC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)C
Cc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC23H19N3O5Sc1123514(6412)1918(21(28)22(29)26(19)23252413(2)3223)20(27)15781617(1115)311093016h38111927H910H212H3b2018+
MFCD07203793
ZINC000102598609
ZINC000102598614
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