Vitas-M small molecule compound
(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL049127
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\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 C34H34N2O8S MW 630.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O8S/c1-4-7-14-42-24-12-8-20(17-26(24)41-6-3)30-29(31(37)21-9-13-25-27(18-21)44-16-15-43-25)32(38)33(39)36(30)34-35-23-11-10-22(40-5-2)19-28(23)45-34/h8-13,17-19,30,37H,4-7,14-16H2,1-3H3/b31-29+InChIKey
MHINJCUHGYAIJX-OWWNRXNESA-NSynonyms
(4E)5(4butoxy3ethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)pyrrolidine23dione
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)OCC)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC34H34N2O8Sc14714422412820(1726(24)4163)3029(31(37)219132527(1821)4416154325)32(38)33(39)36(30)343523111022(4052)1928(23)4534h81317193037H471416H213H3b3129+
MFCD05732120
ZINC000102887167
ZINC000102887170
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