Vitas-M small molecule compound
(4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL057589
SMILES Brc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)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 C28H21BrN2O5S MW 577.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN2O5S/c1-14-10-15(2)23-21(11-14)37-28(30-23)31-24(16-4-3-5-18(29)12-16)22(26(33)27(31)34)25(32)17-6-7-19-20(13-17)36-9-8-35-19/h3-7,10-13,24,32H,8-9H2,1-2H3/b25-22+InChIKey
WLJIJLIESWJZLD-YYDJUVGSSA-NSynonyms
(4E)5(3bromophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)pyrrolidine23dione
Brc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)Br)C
InChI=1SC28H21BrN2O5Sc1141015(2)2321(1114)3728(3023)3124(1643518(29)1216)22(26(33)27(31)34)25(32)17671920(1317)36983519h3710132432H89H212H3b2522+
MFCD05733663
ZINC000101101647
ZINC000101101651
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