Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK568418
SMILES CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(cc1)OCc1ccccc1
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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 C35H28N2O7S MW 620.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28N2O7S/c1-2-41-25-13-14-26-29(19-25)45-35(36-26)37-31(22-8-11-24(12-9-22)44-20-21-6-4-3-5-7-21)30(33(39)34(37)40)32(38)23-10-15-27-28(18-23)43-17-16-42-27/h3-15,18-19,31,38H,2,16-17,20H2,1H3/b32-30+InChIKey
ZWCLHYBCRLNAIR-NHQGMKOOSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6ETHOXY13BENZOTHIAZOL2YL)5(4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)phenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)pyrrolidine23dione
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)OCC7=CC=CC=C7
CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(cc1)OCc1ccccc1
InChI=1SC35H28N2O7Sc12412513142629(1925)4535(3626)3731(2281124(12922)4420216435721)30(33(39)34(37)40)32(38)2310152728(1823)4317164227h31518193138H2161720H21H3b3230+
MFCD05725988
ZINC000102552236
ZINC000102552243
Check stock
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Check stock on Vitas-MAvailable files
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