Vitas-M small molecule compound
(5E)-2-(4-benzylpiperidin-1-yl)-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK810871
SMILES O=C1N=C(S/C/1=C/c1cccc(c1)[N+](=O)[O-])N1CCC(CC1)Cc1ccccc1
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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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c26-21-20(15-18-7-4-8-19(14-18)25(27)28)29-22(23-21)24-11-9-17(10-12-24)13-16-5-2-1-3-6-16/h1-8,14-15,17H,9-13H2/b20-15+InChIKey
LMGVKNTUJVZKDK-HMMYKYKNSA-NSynonyms
(5E)2(4BENZYLPIPERIDIN1YL)5((3NITROPHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)2(4benzylpiperidin1yl)5(3nitrobenzylidene)13thiazol4(5H)one
C1CN(CCC1CC2=CC=CC=C2)C3=NC(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S3
InChI=1SC22H21N3O3Sc262120(151874819(1418)25(27)28)2922(2321)2411917(101224)13165213616h18141517H913H2b2015+
MFCD03712749
O=C1N=C(SC1=Cc1cccc(c1)(N+)(=O)(O))N1CCC(CC1)Cc1ccccc1
ZINC000016701297
ZINC16701297
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