Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL052439
SMILES CCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
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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 C33H32N2O8S MW 616.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O8S/c1-4-13-41-23-11-7-19(16-25(23)40-6-3)29-28(30(36)20-8-12-24-26(17-20)43-15-14-42-24)31(37)32(38)35(29)33-34-22-10-9-21(39-5-2)18-27(22)44-33/h7-12,16-18,29,36H,4-6,13-15H2,1-3H3/b30-28+InChIKey
JDKNVKNBCXBXAQ-SJCQXOIGSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(3ethoxy4propoxyphenyl)pyrrolidine23dione
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OCC)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC33H32N2O8Sc1413412311719(1625(23)4063)2928(30(36)208122426(1720)4315144224)31(37)32(38)35(29)33342210921(3952)1827(22)4433h71216182936H461315H213H3b3028+
MFCD05731189
ZINC000102889901
ZINC000102889902
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