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-(4-fluorophenyl)pyrrolidine-2,3-dione

Catalog ID
STL040567
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)F)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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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/c1-2-35-18-8-9-19-22(14-18)38-28(30-19)31-24(15-3-6-17(29)7-4-15)23(26(33)27(31)34)25(32)16-5-10-20-21(13-16)37-12-11-36-20/h3-10,13-14,24,32H,2,11-12H2,1H3/b25-23+
InChIKey
MXNQFRHJFVTNSA-WJTDDFOZSA-N
Synonyms
618857-27-5
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(4fluorophenyl)pyrrolidine23dione
618857275
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)F
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)F)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC28H21FN2O6Sc123518891922(1418)3828(3019)3124(153617(29)7415)23(26(33)27(31)34)25(32)165102021(1316)3712113620h31013142432H21112H21H3b2523+
MFCD05726150
ZINC000102866617
ZINC000102866619

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Available files

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