Vitas-M small molecule compound
(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL041288
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
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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 C29H23BrN2O6S MW 607.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN2O6S/c1-13-4-6-19-22(8-13)39-29(31-19)32-24(17-11-18(30)26(34)21(12-17)37-3)23(27(35)28(32)36)25(33)15-5-7-20-16(10-15)9-14(2)38-20/h4-8,10-12,14,24,33-34H,9H2,1-3H3/b25-23+InChIKey
UXUCTMCKQMZBIH-WJTDDFOZSA-NSynonyms
893699-85-9(4E)5(3bromo4hydroxy5methoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
893699859
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC(=C(C(=C6)Br)O)OC)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC29H23BrN2O6Sc113461922(813)3929(3119)3224(171118(30)26(34)21(1217)373)23(27(35)28(32)36)25(33)15572016(1015)914(2)3820h48101214243334H9H213H3b2523+
MFCD05730721
ZINC000102868469
ZINC000102868477
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