Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK591386
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nccs1)C
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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 C27H26N2O6S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6S/c1-16(2)8-10-33-19-5-3-4-17(14-19)23-22(25(31)26(32)29(23)27-28-9-13-36-27)24(30)18-6-7-20-21(15-18)35-12-11-34-20/h3-7,9,13-16,23,30H,8,10-12H2,1-2H3/b24-22+InChIKey
BOMYMPURCGHMSA-ZNTNEXAZSA-NSynonyms
620571-63-3(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(3methylbutoxy)phenyl)1(13thiazol2yl)pyrrolidine23dione
620571633
CC(C)CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC=CS5
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nccs1)C
InChI=1SC27H26N2O6Sc116(2)810331953417(1419)2322(25(31)26(32)29(23)27289133627)24(30)18672021(1518)3512113420h37913162330H81012H212H3b2422+
MFCD07203737
ZINC000102076792
ZINC000102076797
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