Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Catalog ID
STK582372
SMILES O/C(=C/1\C(c2ccccc2F)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)C)/c1ccc2c(c1)OCCO2
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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 C25H19FN2O6S MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19FN2O6S/c1-12-23(13(2)29)35-25(27-12)28-20(15-5-3-4-6-16(15)26)19(22(31)24(28)32)21(30)14-7-8-17-18(11-14)34-10-9-33-17/h3-8,11,20,30H,9-10H2,1-2H3/b21-19+InChIKey
UTVJPYQIOHJWQX-XUTLUUPISA-NSynonyms
(4E)1(5acetyl4methyl13thiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(2fluorophenyl)pyrrolidine23dione
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=CC=C5F)C(=O)C
InChI=1SC25H19FN2O6Sc11223(13(2)29)3525(2712)2820(15534616(15)26)19(22(31)24(28)32)21(30)14781718(1114)341093317h38112030H910H212H3b2119+
MFCD07206406
OC(=C1C(c2ccccc2F)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)C)c1ccc2c(c1)OCCO2
ZINC000102593189
ZINC000102593194
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