Vitas-M small molecule compound

3-cyclohexyl-1-(5,5-dimethyl-3-{[(1E,2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-2-thioxo-1,3-thiazolidin-4-yl)-1-hydroxyurea

Catalog ID
STK751901
SMILES ON(C1N(/N=C/C=C/c2ccc(o2)[N+](=O)[O-])C(=S)SC1(C)C)C(=O)NC1CCCCC1

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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 C19H25N5O5S2 MW 467.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N5O5S2/c1-19(2)16(23(26)17(25)21-13-7-4-3-5-8-13)22(18(30)31-19)20-12-6-9-14-10-11-15(29-14)24(27)28/h6,9-13,16,26H,3-5,7-8H2,1-2H3,(H,21,25)/b9-6+,20-12+
InChIKey
AYWZDWJOUWFZHO-XCHVBMRISA-N
Synonyms

3cyclohexyl1(55dimethyl3(((1E2E)3(5nitrofuran2yl)prop2en1ylidene)amino)2thioxo13thiazolidin4yl)1hydroxyurea
3cyclohexyl1(55dimethyl3((E)((E)3(5nitrofuran2yl)prop2enylidene)amino)2sulfanylidene13thiazolidin4yl)1hydroxyurea
CC1(C(N(C(=S)S1)N=CC=CC2=CC=C(O2)(N+)(=O)(O))N(C(=O)NC3CCCCC3)O)C
InChI=1SC19H25N5O5S2c119(2)16(23(26)17(25)21137435813)22(18(30)3119)20126914101115(2914)24(27)28h69131626H3578H212H3(H2125)b96+2012+
MFCD00747818
N(3((1E3E)4(5NITRO(2FURYL))1AZABUTA13DIENYL)55DIMETHYL2THIOXO(13THIAZOLIDIN4YL))(CYCLOHEXYLAMINO)NHYDROXYCARBOXAMIDE
ON(C1N(N=CC=Cc2ccc(o2)(N+)(=O)(O))C(=S)SC1(C)C)C(=O)NC1CCCCC1
ZINC000012402041
ZINC000012402042

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Available files

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