Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK589018
SMILES Fc1ccc(cc1)C1N(c2nnc(s2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C22H16FN3O5S MW 453.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O5S/c1-11-24-25-22(32-11)26-18(12-2-5-14(23)6-3-12)17(20(28)21(26)29)19(27)13-4-7-15-16(10-13)31-9-8-30-15/h2-7,10,18,27H,8-9H2,1H3/b19-17+InChIKey
GRMISORWWOQUKE-HTXNQAPBSA-NSynonyms
586990-05-8(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4fluorophenyl)1(5methyl134thiadiazol2yl)pyrrolidine23dione
586990058
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=C(C=C5)F
Fc1ccc(cc1)C1N(c2nnc(s2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC22H16FN3O5Sc111242522(3211)2618(122514(23)6312)17(20(28)21(26)29)19(27)13471516(1013)31983015h27101827H89H21H3b1917+
MFCD07211014
ZINC000102604427
ZINC000102604432
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