Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Catalog ID
STL056249
SMILES CCOc1ccc2c(c1)sc(n2)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 C28H21FN2O6S MW 532.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN2O6S/c1-2-35-16-8-9-19-22(14-16)38-28(30-19)31-24(17-5-3-4-6-18(17)29)23(26(33)27(31)34)25(32)15-7-10-20-21(13-15)37-12-11-36-20/h3-10,13-14,24,32H,2,11-12H2,1H3/b25-23+InChIKey
UEQOURXJOIBYMO-WJTDDFOZSA-NSynonyms
585563-36-6(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(2fluorophenyl)pyrrolidine23dione
585563366
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=CC=C6F
CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccccc1F
InChI=1SC28H21FN2O6Sc123516891922(1416)3828(3019)3124(17534618(17)29)23(26(33)27(31)34)25(32)157102021(1315)3712113620h31013142432H21112H21H3b2523+
MFCD05738678
ZINC000102896178
ZINC000102896180
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