Vitas-M small molecule compound
(4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL052796
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)Br)/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 C28H21BrN2O6S MW 593.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN2O6S/c1-2-35-18-7-8-19-22(14-18)38-28(30-19)31-24(15-4-3-5-17(29)12-15)23(26(33)27(31)34)25(32)16-6-9-20-21(13-16)37-11-10-36-20/h3-9,12-14,24,32H,2,10-11H2,1H3/b25-23+InChIKey
DSHCOBGEDNIMMA-WJTDDFOZSA-NSynonyms
(4E)5(3bromophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)pyrrolidine23dione
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)Br
CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)Br)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC28H21BrN2O6Sc123518781922(1418)3828(3019)3124(1543517(29)1215)23(26(33)27(31)34)25(32)16692021(1316)3711103620h3912142432H21011H21H3b2523+
MFCD05738484
ZINC000102890349
ZINC000102890352
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