Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL041077
SMILES Cc1cc(C)c2c(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 C35H28N2O6S MW 604.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28N2O6S/c1-20-16-21(2)30-28(17-20)44-35(36-30)37-31(23-8-11-25(12-9-23)43-19-22-6-4-3-5-7-22)29(33(39)34(37)40)32(38)24-10-13-26-27(18-24)42-15-14-41-26/h3-13,16-18,31,38H,14-15,19H2,1-2H3/b32-29+InChIKey
UVMKHUYRQJGVOS-UUDCSCGESA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(46DIMETHYL13BENZOTHIAZOL2YL)5(4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)phenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)pyrrolidine23dione
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)OCC7=CC=CC=C7)C
Cc1cc(C)c2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(cc1)OCc1ccccc1
InChI=1SC35H28N2O6Sc1201621(2)3028(1720)4435(3630)3731(2381125(12923)4319226435722)29(33(39)34(37)40)32(38)2410132627(1824)4215144126h31316183138H141519H212H3b3229+
MFCD05733095
ZINC000102869990
ZINC000102869992
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.