Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL057705
SMILES Cc1cc(C)c2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)Oc1ccccc1
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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 C34H26N2O6S MW 590.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26N2O6S/c1-19-15-20(2)29-27(16-19)43-34(35-29)36-30(21-7-6-10-24(17-21)42-23-8-4-3-5-9-23)28(32(38)33(36)39)31(37)22-11-12-25-26(18-22)41-14-13-40-25/h3-12,15-18,30,37H,13-14H2,1-2H3/b31-28+InChIKey
YPBOISFCJDBTFU-CCFHIKDMSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(3phenoxyphenyl)pyrrolidine23dione
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)OC7=CC=CC=C7)C
Cc1cc(C)c2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)Oc1ccccc1
InChI=1SC34H26N2O6Sc1191520(2)2927(1619)4334(3529)3630(21761024(1721)42238435923)28(32(38)33(36)39)31(37)2211122526(1822)4114134025h31215183037H1314H212H3b3128+
MFCD05733681
ZINC000102899336
ZINC000102899337
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