Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK583264
SMILES Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)[N+](=O)[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 C22H16N4O7S MW 480.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O7S/c1-11-23-24-22(34-11)25-18(12-2-5-14(6-3-12)26(30)31)17(20(28)21(25)29)19(27)13-4-7-15-16(10-13)33-9-8-32-15/h2-7,10,18,27H,8-9H2,1H3/b19-17+InChIKey
AZRNGYMLGLJAFM-HTXNQAPBSA-NSynonyms
618855-83-7(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5methyl134thiadiazol2yl)5(4nitrophenyl)pyrrolidine23dione
618855837
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=C(C=C5)(N+)(=O)(O)
Cc1nnc(s1)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H16N4O7Sc111232422(3411)2518(122514(6312)26(30)31)17(20(28)21(25)29)19(27)13471516(1013)33983215h27101827H89H21H3b1917+
MFCD07200881
ZINC000102595125
ZINC000102595129
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