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-(4-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL054351
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O
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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 C28H21N3O8S MW 559.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O8S/c1-2-37-18-8-9-19-22(14-18)40-28(29-19)30-24(15-3-6-17(7-4-15)31(35)36)23(26(33)27(30)34)25(32)16-5-10-20-21(13-16)39-12-11-38-20/h3-10,13-14,24,32H,2,11-12H2,1H3/b25-23+InChIKey
SHGLAKCPWIJNIY-WJTDDFOZSA-NSynonyms
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(4nitrophenyl)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)(N+)(=O)(O)
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC28H21N3O8Sc123718891922(1418)4028(2919)3024(153617(7415)31(35)36)23(26(33)27(30)34)25(32)165102021(1316)3912113820h31013142432H21112H21H3b2523+
MFCD05732058
ZINC000102892319
ZINC000102892322
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