Vitas-M small molecule compound
(4E)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STK611376
SMILES CCOc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])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 C28H23N3O6S MW 529.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O6S/c1-3-16-8-13-21-22(14-16)38-28(29-21)30-24(18-6-5-7-19(15-18)31(35)36)23(26(33)27(30)34)25(32)17-9-11-20(12-10-17)37-4-2/h5-15,24,32H,3-4H2,1-2H3/b25-23+InChIKey
ZDIAUAGSYICEOT-WJTDDFOZSA-NSynonyms
618423-55-5(4E)4((4ethoxyphenyl)(hydroxy)methylidene)1(6ethyl13benzothiazol2yl)5(3nitrophenyl)pyrrolidine23dione
(4E)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(6ETHYL13BENZOTHIAZOL2YL)5(3NITROPHENYL)PYRROLIDINE23DIONE
4((4ETHOXYPHENYL)CARBONYL)1(6ETHYLBENZOTHIAZOL2YL)3HYDROXY5(3NITROPHENYL)3PYRROLIN2ONE
618423555
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)(N+)(=O)(O)
CCOc1ccc(cc1)C(=C1C(c2cccc(c2)(N+)(=O)(O))N(C(=O)C1=O)c1sc2c(n1)ccc(c2)CC)O
InChI=1SC28H23N3O6Sc13168132122(1416)3828(2921)3024(1865719(1518)31(35)36)23(26(33)27(30)34)25(32)1791120(121017)3742h5152432H34H212H3b2523+
MFCD08735089
ZINC000102708283
ZINC000102708286
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.