Vitas-M small molecule compound
(4E)-5-[3-(benzyloxy)phenyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL053292
SMILES CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cccc(c1)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 C36H30N2O6S MW 618.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O6S/c1-3-42-27-13-14-28-30(19-27)45-36(37-28)38-32(23-10-7-11-26(18-23)43-20-22-8-5-4-6-9-22)31(34(40)35(38)41)33(39)24-12-15-29-25(17-24)16-21(2)44-29/h4-15,17-19,21,32,39H,3,16,20H2,1-2H3/b33-31+InChIKey
LPJCGBSAWPYSKM-QOSDPKFLSA-NSynonyms
893698-58-3(4E)1(6ETHOXY13BENZOTHIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893698583
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OC(C5)C)O)C(=O)C3=O)C6=CC(=CC=C6)OCC7=CC=CC=C7
CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cccc(c1)OCc1ccccc1
InChI=1SC36H30N2O6Sc13422713142830(1927)4536(3728)3832(231071126(1823)4320228546922)31(34(40)35(38)41)33(39)2412152925(1724)1621(2)4429h4151719213239H31620H212H3b3331+
MFCD05738053
ZINC000102893176
ZINC000102893181
Check stock
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Check stock on Vitas-MAvailable files
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