Vitas-M small molecule compound

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

Catalog ID
STK846163
SMILES Fc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)/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 C25H16FN3O5S MW 489.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16FN3O5S/c1-13-5-10-18-19(11-13)35-25(27-18)28-21(15-3-2-4-17(12-15)29(33)34)20(23(31)24(28)32)22(30)14-6-8-16(26)9-7-14/h2-12,21,30H,1H3/b22-20+
InChIKey
NYPVCPZTSAVWRD-LSDHQDQOSA-N
Synonyms
514189-01-6
(4E)4((4fluorophenyl)(hydroxy)methylidene)1(6methyl13benzothiazol2yl)5(3nitrophenyl)pyrrolidine23dione
(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)5(3NITROPHENYL)PYRROLIDINE23DIONE
4((4FLUOROPHENYL)CARBONYL)3HYDROXY1(6METHYLBENZOTHIAZOL2YL)5(3NITROPHENYL)3PYRROLIN2ONE
514189016
CC1=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)
Fc1ccc(cc1)C(=C1C(c2cccc(c2)(N+)(=O)(O))N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)O
InChI=1SC25H16FN3O5Sc1135101819(1113)3525(2718)2821(1532417(1215)29(33)34)20(23(31)24(28)32)22(30)146816(26)9714h2122130H1H3b2220+
MFCD03794148
ZINC000102799437
ZINC000102799440

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Available files

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