Vitas-M small molecule compound

5,5-dimethyl-4-[(Z)-(3-nitrobenzylidene)(oxido)-lambda~5~-azanyl]-3-phenyl-1,3-thiazolidine-2-thione

Catalog ID
STK699668
SMILES [O-]/[N+](=C\c1cccc(c1)[N+](=O)[O-])/C1N(C(=S)SC1(C)C)c1ccccc1

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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 C18H17N3O3S2 MW 387.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S2/c1-18(2)16(20(17(25)26-18)14-8-4-3-5-9-14)19(22)12-13-7-6-10-15(11-13)21(23)24/h3-12,16H,1-2H3/b19-12-
InChIKey
BKGHXCZAKDLDTK-UNOMPAQXSA-N
Synonyms

(O)(N+)(=Cc1cccc(c1)(N+)(=O)(O))C1N(C(=S)SC1(C)C)c1ccccc1
(Z)55dimethylN(3nitrobenzylidene)3phenyl2thioxothiazolidin4amineoxide
55dimethyl4((Z)(3nitrobenzylidene)(oxido)lambda~5~azanyl)3phenyl13thiazolidine2thione
55DIMETHYL4((Z)(3NITROBENZYLIDENE)(OXIDO)LAMBDA5AZANYL)3PHENYL13THIAZOLIDINE2THIONE
CC1(C(N(C(=S)S1)C2=CC=CC=C2)(N+)(=CC3=CC(=CC=C3)(N+)(=O)(O))(O))C
InChI=1SC18H17N3O3S2c118(2)16(20(17(25)2618)148435914)19(22)1213761015(1113)21(23)24h31216H12H3b1912
N(55DIMETHYL3PHENYL2SULFANYLIDENE13THIAZOLIDIN4YL)1(3NITROPHENYL)METHANIMINEOXIDE
ZINC000001304045
ZINC000001304047

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Available files

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