Vitas-M small molecule compound
(4E)-5-(3,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL054891
SMILES Cc1cc(C)c2c(c1)sc(n2)N1C(c2ccc(c(c2)Cl)Cl)/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 C28H20Cl2N2O5S MW 567.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20Cl2N2O5S/c1-13-9-14(2)23-21(10-13)38-28(31-23)32-24(15-3-5-17(29)18(30)11-15)22(26(34)27(32)35)25(33)16-4-6-19-20(12-16)37-8-7-36-19/h3-6,9-12,24,33H,7-8H2,1-2H3/b25-22+InChIKey
KCMYPNPNDFSGBE-YYDJUVGSSA-NSynonyms
(4E)5(34dichlorophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)pyrrolidine23dione
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=C(C=C6)Cl)Cl)C
Cc1cc(C)c2c(c1)sc(n2)N1C(c2ccc(c(c2)Cl)Cl)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC28H20Cl2N2O5Sc113914(2)2321(1013)3828(3123)3224(153517(29)18(30)1115)22(26(34)27(32)35)25(33)16461920(1216)37873619h369122433H78H212H3b2522+
MFCD05732480
ZINC000102894000
ZINC000102894002
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