Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL050147
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)OC)/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C1=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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-4-37-21-9-10-22-24(15-21)39-30(31-22)32-26(17-6-5-7-20(14-17)36-3)25(28(34)29(32)35)27(33)18-8-11-23-19(13-18)12-16(2)38-23/h5-11,13-16,26,33H,4,12H2,1-3H3/b27-25+InChIKey
BYFNZARDCCOXRA-IMVLJIQESA-NSynonyms
877782-80-4(4E)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3methoxyphenyl)pyrrolidine23dione
877782804
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OC(C5)C)O)C(=O)C3=O)C6=CC(=CC=C6)OC
CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)OC)C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C1=O
InChI=1SC30H26N2O6Sc1437219102224(1521)3930(3122)3226(1765720(1417)363)25(28(34)29(32)35)27(33)188112319(1318)1216(2)3823h51113162633H412H213H3b2725+
MFCD05738509
ZINC000102886640
ZINC000102886648
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