Vitas-M small molecule compound
(5Z)-3-(2-methylpropyl)-5-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK809157
SMILES CC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)[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/c1-15(2)13-25-22(28)20(32-23(25)31)12-17-14-26(18-6-4-3-5-7-18)24-21(17)16-8-10-19(11-9-16)27(29)30/h3-12,14-15H,13H2,1-2H3/b20-12-InChIKey
YBCSWDFPYOEWPR-NDENLUEZSA-NSynonyms
(5Z)3(2methylpropyl)5((3(4nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2methylpropyl)5((3(4nitrophenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CC(C)CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)SC1=S
CC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)(N+)(=O)(O))c2ccccc2)C1=O)C
InChI=1SC23H20N4O3S2c115(2)132522(28)20(3223(25)31)12171426(186435718)2421(17)1681019(11916)27(29)30h3121415H13H212H3b2012
MFCD03461223
ZINC000002672944
ZINC02672944
ZINC2672944
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