Vitas-M small molecule compound
ethyl 2-{(3E)-2-(4-butoxy-3-ethoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL057518
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\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 C32H34N2O9S MW 622.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O9S/c1-5-8-13-41-21-11-9-19(16-23(21)39-6-2)26-25(27(35)20-10-12-22-24(17-20)43-15-14-42-22)28(36)30(37)34(26)32-33-18(4)29(44-32)31(38)40-7-3/h9-12,16-17,26,35H,5-8,13-15H2,1-4H3/b27-25+InChIKey
WAIVTKKLHZDKHX-IMVLJIQESA-NSynonyms
620563-22-6620563226
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OCC
ethyl2((3E)2(4butoxy3ethoxyphenyl)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC32H34N2O9Sc15813412111919(1623(21)3962)2625(27(35)2010122224(1720)4315144222)28(36)30(37)34(26)323318(4)29(4432)31(38)4073h91216172635H581315H214H3b2725+
MFCD05733030
ZINC000102899749
ZINC000102899751
Check stock
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