Vitas-M small molecule compound
(4E)-5-(3-chlorophenyl)-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
STK576161
SMILES Clc1cccc(c1)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 C22H16ClN3O5S MW 469.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O5S/c1-11-24-25-22(32-11)26-18(12-3-2-4-14(23)9-12)17(20(28)21(26)29)19(27)13-5-6-15-16(10-13)31-8-7-30-15/h2-6,9-10,18,27H,7-8H2,1H3/b19-17+InChIKey
QMJIQASUMWNRES-HTXNQAPBSA-NSynonyms
577987-73-6(4E)5(3chlorophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5methyl134thiadiazol2yl)pyrrolidine23dione
577987736
CC1=NN=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=CC=C5)Cl
Clc1cccc(c1)C1N(c2nnc(s2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC22H16ClN3O5Sc111242522(3211)2618(1232414(23)912)17(20(28)21(26)29)19(27)13561516(1013)31873015h269101827H78H21H3b1917+
MFCD07201400
ZINC000102578962
ZINC000102578967
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