Vitas-M small molecule compound

(4E)-5-(3-bromophenyl)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione

Catalog ID
STL051296
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2cccc(c2)Br)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)/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 C28H23BrN2O4S MW 563.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23BrN2O4S/c1-3-16-8-13-21-22(14-16)36-28(30-21)31-24(18-6-5-7-19(29)15-18)23(26(33)27(31)34)25(32)17-9-11-20(12-10-17)35-4-2/h5-15,24,32H,3-4H2,1-2H3/b25-23+
InChIKey
MABOUYRSTBPDQF-WJTDDFOZSA-N
Synonyms

(4E)5(3bromophenyl)4((4ethoxyphenyl)(hydroxy)methylidene)1(6ethyl13benzothiazol2yl)pyrrolidine23dione
(4E)5(3BROMOPHENYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(6ETHYL13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
5(3BROMOPHENYL)4((4ETHOXYPHENYL)CARBONYL)1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY3PYRROLIN2ONE
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)OCC)O)C(=O)C3=O)C5=CC(=CC=C5)Br
CCOc1ccc(cc1)C(=C1C(c2cccc(c2)Br)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC28H23BrN2O4Sc13168132122(1416)3628(3021)3124(1865719(29)1518)23(26(33)27(31)34)25(32)1791120(121017)3542h5152432H34H212H3b2523+
MFCD05727894
ZINC000102888041
ZINC000102888045

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Available files

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