Vitas-M small molecule compound
(4E)-5-[3-(benzyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL052865
SMILES CC1Cc2c(O1)ccc(c2)/C(=C\1/C(c2cccc(c2)OCc2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)/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 C35H28N2O5S MW 588.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28N2O5S/c1-20-11-13-27-29(15-20)43-35(36-27)37-31(23-9-6-10-26(18-23)41-19-22-7-4-3-5-8-22)30(33(39)34(37)40)32(38)24-12-14-28-25(17-24)16-21(2)42-28/h3-15,17-18,21,31,38H,16,19H2,1-2H3/b32-30+InChIKey
AKWSCRIRFNPPCA-NHQGMKOOSA-NSynonyms
893699-64-4(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
893699644
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC(=CC=C6)OCC7=CC=CC=C7)O
CC1Cc2c(O1)ccc(c2)C(=C1C(c2cccc(c2)OCc2ccccc2)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC35H28N2O5Sc12011132729(1520)4335(3627)3731(23961026(1823)4119227435822)30(33(39)34(37)40)32(38)2412142825(1724)1621(2)4228h3151718213138H1619H212H3b3230+
MFCD05738631
ZINC000102735535
ZINC000102735543
Check stock
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Check stock on Vitas-MAvailable files
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