Vitas-M small molecule compound
(4E)-4-(hydroxy{4-[(3-methylbenzyl)oxy]phenyl}methylidene)-5-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL052790
SMILES Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])c1nccs1)/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 C28H21N3O6S MW 527.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N3O6S/c1-17-4-2-5-18(14-17)16-37-22-10-8-19(9-11-22)25(32)23-24(20-6-3-7-21(15-20)31(35)36)30(27(34)26(23)33)28-29-12-13-38-28/h2-15,24,32H,16H2,1H3/b25-23+InChIKey
HOXAEDYQXMPAGZ-WJTDDFOZSA-NSynonyms
799840-02-1(4E)4(hydroxy(4((3methylbenzyl)oxy)phenyl)methylidene)5(3nitrophenyl)1(13thiazol2yl)pyrrolidine23dione
(4E)4(HYDROXY(4((3METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)5(3NITROPHENYL)1(13THIAZOL2YL)PYRROLIDINE23DIONE
799840021
CC1=CC(=CC=C1)COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)C4=NC=CS4)C5=CC(=CC=C5)(N+)(=O)(O))O
Cc1cccc(c1)COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)(N+)(=O)(O))c1nccs1)O
InChI=1SC28H21N3O6Sc11742518(1417)16372210819(91122)25(32)2324(2063721(1520)31(35)36)30(27(34)26(23)33)282912133828h2152432H16H21H3b2523+
MFCD05734961
ZINC000102890226
ZINC000102890227
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