Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK569267
SMILES CCOc1cc(ccc1OCCC(C)C)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 C35H36N2O8S MW 644.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N2O8S/c1-5-41-23-9-10-24-29(19-23)46-35(36-24)37-31(21-7-11-25(27(17-21)42-6-2)43-14-13-20(3)4)30(33(39)34(37)40)32(38)22-8-12-26-28(18-22)45-16-15-44-26/h7-12,17-20,31,38H,5-6,13-16H2,1-4H3/b32-30+InChIKey
BVDHMYYHSNTMIR-NHQGMKOOSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(3ethoxy4(3methylbutoxy)phenyl)pyrrolidine23dione
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C=C6)OCCC(C)C)OCC
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)OCC
InChI=1SC35H36N2O8Sc1541239102429(1923)4635(3624)3731(2171125(27(1721)4262)43141320(3)4)30(33(39)34(37)40)32(38)228122628(1822)4516154426h71217203138H561316H214H3b3230+
MFCD05727052
ZINC000150422333
ZINC000150422336
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