Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-methoxyphenyl]-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
STL050313
SMILES CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccc(c(c1)OC)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 C36H30N2O8S MW 650.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O8S/c1-3-43-24-11-12-25-30(19-24)47-36(37-25)38-32(22-9-13-26(28(17-22)42-2)46-20-21-7-5-4-6-8-21)31(34(40)35(38)41)33(39)23-10-14-27-29(18-23)45-16-15-44-27/h4-14,17-19,32,39H,3,15-16,20H2,1-2H3/b33-31+InChIKey
GKIJUJGYQGTAPL-QOSDPKFLSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(6ETHOXY13BENZOTHIAZOL2YL)5(3METHOXY4PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3methoxyphenyl)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)OC
CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccc(c(c1)OC)OCc1ccccc1
InChI=1SC36H30N2O8Sc13432411122530(1924)4736(3725)3832(2291326(28(1722)422)4620217546821)31(34(40)35(38)41)33(39)2310142729(1823)4516154427h41417193239H3151620H212H3b3331+
MFCD05726993
ZINC000150453849
ZINC000150453854
Check stock
See real-time availability and sample size for STL050313 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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