Vitas-M small molecule compound
(4E)-5-(3,4-dichlorophenyl)-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
STK576594
SMILES Cc1nnc(s1)N1C(c2ccc(c(c2)Cl)Cl)/C(=C(/c2ccc3c(c2)OCCO3)\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 C22H15Cl2N3O5S MW 504.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15Cl2N3O5S/c1-10-25-26-22(33-10)27-18(11-2-4-13(23)14(24)8-11)17(20(29)21(27)30)19(28)12-3-5-15-16(9-12)32-7-6-31-15/h2-5,8-9,18,28H,6-7H2,1H3/b19-17+InChIKey
IJPBWUUMMGVXJK-HTXNQAPBSA-NSynonyms
585557-06-8(4E)5(34dichlorophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
585557068
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=C(C=C5)Cl)Cl
Cc1nnc(s1)N1C(c2ccc(c(c2)Cl)Cl)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC22H15Cl2N3O5Sc110252622(3310)2718(112413(23)14(24)811)17(20(29)21(27)30)19(28)12351516(912)32763115h25891828H67H21H3b1917+
MFCD07204895
ZINC000102580011
ZINC000102580017
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