Vitas-M small molecule compound
(5Z)-3-(2-ethylhexyl)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK701878
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)[N+](=O)[O-])c2ccccc2)/C1=O)CC
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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 C27H28N4O3S2 MW 520.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S2/c1-3-5-10-19(4-2)17-29-26(32)24(36-27(29)35)16-21-18-30(22-12-7-6-8-13-22)28-25(21)20-11-9-14-23(15-20)31(33)34/h6-9,11-16,18-19H,3-5,10,17H2,1-2H3/b24-16-InChIKey
DOMAQNZTRFIJBY-JLPGSUDCSA-NSynonyms
(5Z)3(2ethylhexyl)5((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ethylhexyl)5((3(3nitrophenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)(N+)(=O)(O))c2ccccc2)C1=O)CC
InChI=1SC27H28N4O3S2c1351019(42)172926(32)24(3627(29)35)16211830(22127681322)2825(21)201191423(1520)31(33)34h6911161819H351017H212H3b2416
MFCD03461657
ZINC000016791068
ZINC000016791070
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