Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL056438
SMILES CCOc1cc(ccc1O)C1/C(=C(/c2cccc(c2)OC)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
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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 C29H26N2O6S MW 530.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O6S/c1-5-37-21-14-17(9-10-20(21)32)25-23(26(33)18-7-6-8-19(13-18)36-4)27(34)28(35)31(25)29-30-24-16(3)11-15(2)12-22(24)38-29/h6-14,25,32-33H,5H2,1-4H3/b26-23+InChIKey
SJQULERKCMGNBU-WNAAXNPUSA-NSynonyms
607688-10-8(4E)1(46dimethyl13benzothiazol2yl)5(3ethoxy4hydroxyphenyl)4(hydroxy(3methoxyphenyl)methylidene)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)5(3ETHOXY4HYDROXYPHENYL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
607688108
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC(=CC=C3)OC)O)C(=O)C(=O)N2C4=NC5=C(C=C(C=C5S4)C)C)O
CCOc1cc(ccc1O)C1C(=C(c2cccc(c2)OC)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC29H26N2O6Sc1537211417(91020(21)32)2523(26(33)1876819(1318)364)27(34)28(35)31(25)29302416(3)1115(2)1222(24)3829h614253233H5H214H3b2623+
MFCD05725880
ZINC000102895973
ZINC000102895975
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