Vitas-M small molecule compound

N'-{(E)-[3-(4-bromobenzyl)-4-chloro-2-oxo-2,3-dihydro-1,3-thiazol-5-yl]methylidene}-4-nitrobenzohydrazide

Catalog ID
STK611313
SMILES Brc1ccc(cc1)Cn1c(=O)sc(c1Cl)/C=N/NC(=O)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 C18H12BrClN4O4S MW 495.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrClN4O4S/c19-13-5-1-11(2-6-13)10-23-16(20)15(29-18(23)26)9-21-22-17(25)12-3-7-14(8-4-12)24(27)28/h1-9H,10H2,(H,22,25)/b21-9+
InChIKey
XXCKWCSFLJLZFU-ZVBGSRNCSA-N
Synonyms
609791-34-6
(E)N((3(4bromobenzyl)4chloro2oxo23dihydrothiazol5yl)methylene)4nitrobenzohydrazide
609791346
Brc1ccc(cc1)Cn1c(=O)sc(c1Cl)C=NNC(=O)c1ccc(cc1)(N+)(=O)(O)
C1=CC(=CC=C1CN2C(=C(SC2=O)C=NNC(=O)C3=CC=C(C=C3)(N+)(=O)(O))Cl)Br
InChI=1SC18H12BrClN4O4Sc19135111(2613)102316(20)15(2918(23)26)9212217(25)123714(8412)24(27)28h19H10H2(H2225)b219+
MFCD03681246
N((E)(3((4bromophenyl)methyl)4chloro2oxo13thiazol5yl)methylideneamino)4nitrobenzamide
N((E)(3(4bromobenzyl)4chloro2oxo23dihydro13thiazol5yl)methylidene)4nitrobenzohydrazide
ZINC000008767894
ZINC33368040

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Available files

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