Vitas-M small molecule compound

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

Catalog ID
STK570392
SMILES O=C1N=C(S/C/1=C\c1cccc(c1)[N+](=O)[O-])N1CCN(CC1)c1ccc(cc1)[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 C20H17N5O5S MW 439.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O5S/c26-19-18(13-14-2-1-3-17(12-14)25(29)30)31-20(21-19)23-10-8-22(9-11-23)15-4-6-16(7-5-15)24(27)28/h1-7,12-13H,8-11H2/b18-13-
InChIKey
AIWSSUHSBVSTCU-AQTBWJFISA-N
Synonyms
714938-84-8
(5Z)5((3NITROPHENYL)METHYLIDENE)2(4(4NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5Z)5(3nitrobenzylidene)2(4(4nitrophenyl)piperazin1yl)13thiazol4(5H)one
(Z)5(3nitrobenzylidene)2(4(4nitrophenyl)piperazin1yl)thiazol4(5H)one
714938848
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C3=NC(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S3
InChI=1SC20H17N5O5Sc261918(131421317(1214)25(29)30)3120(2119)2310822(91123)154616(7515)24(27)28h171213H811H2b1813
MFCD05702470
O=C1N=C(SC1=Cc1cccc(c1)(N+)(=O)(O))N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000009009289
ZINC09009289
ZINC9009289

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Available files

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