Vitas-M small molecule compound

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

Catalog ID
STK624590
SMILES CCc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)F)\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 C26H18FN3O5S MW 503.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18FN3O5S/c1-2-14-6-11-19-20(12-14)36-26(28-19)29-22(16-4-3-5-18(13-16)30(34)35)21(24(32)25(29)33)23(31)15-7-9-17(27)10-8-15/h3-13,22,31H,2H2,1H3/b23-21+
InChIKey
UWFSWKFZGSEZNA-XTQSDGFTSA-N
Synonyms
618420-97-6
(4E)1(6ethyl13benzothiazol2yl)4((4fluorophenyl)(hydroxy)methylidene)5(3nitrophenyl)pyrrolidine23dione
(4E)1(6ETHYL13BENZOTHIAZOL2YL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
1(6ETHYLBENZOTHIAZOL2YL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(3NITROPHENYL)3PYRROLIN2ONE
618420976
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC(=CC=C5)(N+)(=O)(O)
CCc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc(cc2)F)O)C(=O)C1=O
InChI=1SC26H18FN3O5Sc12146111920(1214)3626(2819)2922(1643518(1316)30(34)35)21(24(32)25(29)33)23(31)157917(27)10815h3132231H2H21H3b2321+
MFCD09798476
ZINC000102726465
ZINC000102726469

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.