Vitas-M small molecule compound
(5E)-3-(3-nitrobenzyl)-5-[4-(pyrrolidin-1-yl)benzylidene]-1,3-thiazolidine-2,4-dione
Catalog ID
STK157341
SMILES O=C1S/C(=C/c2ccc(cc2)N2CCCC2)/C(=O)N1Cc1cccc(c1)[N+](=O)[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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c25-20-19(13-15-6-8-17(9-7-15)22-10-1-2-11-22)29-21(26)23(20)14-16-4-3-5-18(12-16)24(27)28/h3-9,12-13H,1-2,10-11,14H2/b19-13+InChIKey
IVDUMQIWSBWBMZ-CPNJWEJPSA-NSynonyms
(5E)3((3NITROPHENYL)METHYL)5((4PYRROLIDIN1YLPHENYL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5E)3(3NITROBENZYL)5(4(PYRROLIDIN1YL)BENZYLIDENE)13THIAZOLIDINE24DIONE
3((3NITROPHENYL)METHYL)5((4PYRROLIDINYLPHENYL)METHYLENE)13THIAZOLIDINE24DIONE
C1CCN(C1)C2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H19N3O4Sc252019(13156817(9715)2210121122)2921(26)23(20)141643518(1216)24(27)28h391213H12101114H2b1913+
MFCD03274286
O=C1SC(=Cc2ccc(cc2)N2CCCC2)C(=O)N1Cc1cccc(c1)(N+)(=O)(O)
ZINC000004514275
ZINC04514275
ZINC4514275
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