Vitas-M small molecule compound
(5Z)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823000
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)[N+](=O)[O-])OC)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/c1-3-4-8-13-27-24(30)22(35-25(27)34)15-18-16-28(19-9-6-5-7-10-19)26-23(18)17-11-12-21(33-2)20(14-17)29(31)32/h5-7,9-12,14-16H,3-4,8,13H2,1-2H3/b22-15-InChIKey
QYFLDAHCCMFZTR-JCMHNJIXSA-NSynonyms
(5Z)5((3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(4methoxy3nitrophenyl)1phenylpyrazol4yl)methylidene)3pentyl2sulfanylidene13thiazolidin4one
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)(N+)(=O)(O))C4=CC=CC=C4)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)(N+)(=O)(O))OC)c2ccccc2)C1=O
InChI=1SC25H24N4O4S2c1348132724(30)22(3525(27)34)15181628(1996571019)2623(18)17111221(332)20(1417)29(31)32h579121416H34813H212H3b2215
MFCD03463562
ZINC000027018146
ZINC27018146
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