Vitas-M small molecule compound
(4E)-5-(3-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL057333
SMILES CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
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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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-4-37-21-7-5-6-17(14-21)26-25(27(33)18-8-11-23-19(13-18)12-16(2)38-23)28(34)29(35)32(26)30-31-22-10-9-20(36-3)15-24(22)39-30/h5-11,13-16,26,33H,4,12H2,1-3H3/b27-25+InChIKey
MMWRZLYIGBJROA-IMVLJIQESA-NSynonyms
877784-13-9(4E)5(3ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
877784139
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OC
CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OC
InChI=1SC30H26N2O6Sc14372175617(1421)2625(27(33)188112319(1318)1216(2)3823)28(34)29(35)32(26)30312210920(363)1524(22)3930h51113162633H412H213H3b2725+
MFCD05732395
ZINC000102897184
ZINC000102897196
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