Vitas-M small molecule compound

methyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK569346
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccccc1F

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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 C25H19FN2O7S MW 510.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19FN2O7S/c1-12-22(24(32)33-2)36-25(27-12)28-19(14-5-3-4-6-15(14)26)18(21(30)23(28)31)20(29)13-7-8-16-17(11-13)35-10-9-34-16/h3-8,11,19,29H,9-10H2,1-2H3/b20-18+
InChIKey
JLLDFYRMMWFVJV-CZIZESTLSA-N
Synonyms
587009-35-6
587009356
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=CC=C5F)C(=O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccccc1F
InChI=1SC25H19FN2O7Sc11222(24(32)332)3625(2712)2819(14534615(14)26)18(21(30)23(28)31)20(29)13781617(1113)351093416h38111929H910H212H3b2018+
methyl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)2(2fluorophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05729054
ZINC000102654156
ZINC000102654159

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Available files

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