Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK573028
SMILES Cc1nnc(s1)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccccc1F
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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(13-4-2-3-5-14(13)23)17(20(28)21(26)29)19(27)12-6-7-15-16(10-12)31-9-8-30-15/h2-7,10,18,27H,8-9H2,1H3/b19-17+InChIKey
PHBGWGDVSHHLSA-HTXNQAPBSA-NSynonyms
577765-40-3(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(2fluorophenyl)1(5methyl134thiadiazol2yl)pyrrolidine23dione
577765403
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=CC=C5F
Cc1nnc(s1)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccccc1F
InChI=1SC22H16FN3O5Sc111242522(3211)2618(13423514(13)23)17(20(28)21(26)29)19(27)12671516(1012)31983015h27101827H89H21H3b1917+
MFCD07205994
ZINC000102570810
ZINC000102570821
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