Vitas-M small molecule compound
(5Z)-3-(butan-2-yl)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703916
SMILES CCC(N1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)[N+](=O)[O-])c2ccccc2)/C1=O)C
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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 C23H20N4O3S2 MW 464.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S2/c1-3-15(2)26-22(28)20(32-23(26)31)13-17-14-25(18-9-5-4-6-10-18)24-21(17)16-8-7-11-19(12-16)27(29)30/h4-15H,3H2,1-2H3/b20-13-InChIKey
CKJCMQBUBFPCMK-MOSHPQCFSA-NSynonyms
955870-79-8(5Z)3(butan2yl)5((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butan2yl5((3(3nitrophenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3(secbutyl)5((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
955870798
CCC(C)N1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4)SC1=S
CCC(N1C(=S)SC(=Cc2cn(nc2c2cccc(c2)(N+)(=O)(O))c2ccccc2)C1=O)C
InChI=1SC23H20N4O3S2c1315(2)2622(28)20(3223(26)31)13171425(1895461018)2421(17)16871119(1216)27(29)30h415H3H212H3b2013
MFCD03663072
ZINC000002364621
ZINC000009164916
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