Vitas-M small molecule compound
ethyl 2-{(3E)-2-(4-butoxy-3-ethoxyphenyl)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL056352
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)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 C33H36N2O8S MW 620.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N2O8S/c1-6-9-14-42-24-13-10-20(17-25(24)40-7-2)27-26(28(36)21-11-12-23-22(16-21)15-18(4)43-23)29(37)31(38)35(27)33-34-19(5)30(44-33)32(39)41-8-3/h10-13,16-18,27,36H,6-9,14-15H2,1-5H3/b28-26+InChIKey
FQQGDAFKVHBLNE-BYCLXTJYSA-NSynonyms
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
ethyl2((3E)2(4butoxy3ethoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC33H36N2O8Sc169144224131020(1725(24)4072)2726(28(36)2111122322(1621)1518(4)4323)29(37)31(38)35(27)333419(5)30(4433)32(39)4183h101316182736H691415H215H3b2826+
MFCD05731604
ZINC000102895418
ZINC000102895424
Check stock
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