Vitas-M small molecule compound
(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL051882
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cc(Br)c(c(c1)OC)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 C28H21BrN2O8S MW 625.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN2O8S/c1-36-15-4-5-17-21(12-15)40-28(30-17)31-23(14-9-16(29)25(33)20(11-14)37-2)22(26(34)27(31)35)24(32)13-3-6-18-19(10-13)39-8-7-38-18/h3-6,9-12,23,32-33H,7-8H2,1-2H3/b24-22+InChIKey
YBMJJZDVKGQPTH-ZNTNEXAZSA-NSynonyms
618857-10-6(4E)5(3bromo4hydroxy5methoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
618857106
COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C(=C6)Br)O)OC
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cc(Br)c(c(c1)OC)O
InChI=1SC28H21BrN2O8Sc13615451721(1215)4028(3017)3123(14916(29)25(33)20(1114)372)22(26(34)27(31)35)24(32)13361819(1013)39873818h36912233233H78H212H3b2422+
MFCD07206292
ZINC000150459267
ZINC000150459274
Check stock
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Check stock on Vitas-MAvailable files
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