Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL050886
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\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 C36H38N2O7S MW 642.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38N2O7S/c1-6-42-25-10-11-26-30(19-25)46-36(37-26)38-32(22-8-13-28(29(18-22)43-7-2)44-15-14-20(3)4)31(34(40)35(38)41)33(39)23-9-12-27-24(17-23)16-21(5)45-27/h8-13,17-21,32,39H,6-7,14-16H2,1-5H3/b33-31+InChIKey
LLZXFOFHTIFZMK-QOSDPKFLSA-NSynonyms
893700-05-5(4E)1(6ethoxy13benzothiazol2yl)5(3ethoxy4(3methylbutoxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893700055
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(=C(C=C6)OCCC(C)C)OCC
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC36H38N2O7Sc16422510112630(1925)4636(3726)3832(2281328(29(1822)4372)44151420(3)4)31(34(40)35(38)41)33(39)239122724(1723)1621(5)4527h81317213239H671416H215H3b3331+
MFCD05738090
ZINC000150422252
ZINC000150422263
Check stock
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