Vitas-M small molecule compound

(5E)-2-[4-(2-methylphenyl)piperazin-1-yl]-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one

Catalog ID
STK864513
SMILES O=C1N=C(S/C/1=C/c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1C

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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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-15-5-2-3-8-18(15)23-9-11-24(12-10-23)21-22-20(26)19(29-21)14-16-6-4-7-17(13-16)25(27)28/h2-8,13-14H,9-12H2,1H3/b19-14+
InChIKey
FWJUYQKPKHSBKG-XMHGGMMESA-N
Synonyms
374922-75-5
(5E)2(4(2METHYLPHENYL)PIPERAZIN1YL)5((3NITROPHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)2(4(2methylphenyl)piperazin1yl)5(3nitrobenzylidene)13thiazol4(5H)one
(Z)5(3nitrobenzylidene)2(4(otolyl)piperazin1yl)thiazol4(5H)one
374922755
CC1=CC=CC=C1N2CCN(CC2)C3=NC(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S3
InChI=1SC21H20N4O3Sc115523818(15)2391124(121023)212220(26)19(2921)141664717(1316)25(27)28h281314H912H21H3b1914+
MFCD02374503
O=C1N=C(SC1=Cc1cccc(c1)(N+)(=O)(O))N1CCN(CC1)c1ccccc1C
ZINC000004863294
ZINC04863294
ZINC4863294

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Available files

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