Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK568658
SMILES CCOc1cc(ccc1O)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)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 C31H28N2O6S MW 556.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O6S/c1-5-38-23-14-18(6-8-21(23)34)27-25(28(35)19-7-9-22-20(13-19)12-17(4)39-22)29(36)30(37)33(27)31-32-26-16(3)10-15(2)11-24(26)40-31/h6-11,13-14,17,27,34-35H,5,12H2,1-4H3/b28-25+InChIKey
LRFZTOTWTQMKBZ-AZPGRJICSA-NSynonyms
877808-26-9(4E)1(46dimethyl13benzothiazol2yl)5(3ethoxy4hydroxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
877808269
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C)O
CCOc1cc(ccc1O)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC31H28N2O6Sc1538231418(6821(23)34)2725(28(35)19792220(1319)1217(4)3922)29(36)30(37)33(27)31322616(3)1015(2)1124(26)4031h611131417273435H512H214H3b2825+
MFCD05728415
ZINC000102553455
ZINC000102652872
Check stock
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Check stock on Vitas-MAvailable files
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