Vitas-M small molecule compound
(5Z)-3-butyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK808900
SMILES CCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)[N+](=O)[O-])OCC)c2ccccc2)/C1=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 C25H24N4O4S2 MW 508.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S2/c1-3-5-13-27-24(30)22(35-25(27)34)15-18-16-28(19-9-7-6-8-10-19)26-23(18)17-11-12-21(33-4-2)20(14-17)29(31)32/h6-12,14-16H,3-5,13H2,1-2H3/b22-15-InChIKey
XIBMPRLLDDIKPO-JCMHNJIXSA-NSynonyms
(5Z)3butyl5((3(4ethoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butyl5((3(4ethoxy3nitrophenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)(N+)(=O)(O))C4=CC=CC=C4)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)(N+)(=O)(O))OCC)c2ccccc2)C1=O
InChI=1SC25H24N4O4S2c135132724(30)22(3525(27)34)15181628(1997681019)2623(18)17111221(3342)20(1417)29(31)32h6121416H3513H212H3b2215
MFCD03461115
ZINC000002672563
ZINC02672563
ZINC2672563
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