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-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL049718
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C29H23BrN2O7S MW 623.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23BrN2O7S/c1-13-8-14(2)23-21(9-13)40-29(31-23)32-24(16-10-17(30)26(34)20(12-16)37-3)22(27(35)28(32)36)25(33)15-4-5-18-19(11-15)39-7-6-38-18/h4-5,8-12,24,33-34H,6-7H2,1-3H3/b25-22+InChIKey
QPSUHMLPVOAMRW-YYDJUVGSSA-NSynonyms
618859-23-7(4E)5(3bromo4hydroxy5methoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)pyrrolidine23dione
618859237
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C(=C6)Br)O)OC)C
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC29H23BrN2O7Sc113814(2)2321(913)4029(3123)3224(161017(30)26(34)20(1216)373)22(27(35)28(32)36)25(33)15451819(1115)39763818h45812243334H67H213H3b2522+
MFCD05735232
ZINC000150456096
ZINC000150456103
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