Vitas-M small molecule compound
(5Z)-3-butyl-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK808906
SMILES CCCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)[N+](=O)[O-])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 C23H20N4O3S2 MW 464.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S2/c1-2-3-12-25-22(28)20(32-23(25)31)14-17-15-26(18-9-5-4-6-10-18)24-21(17)16-8-7-11-19(13-16)27(29)30/h4-11,13-15H,2-3,12H2,1H3/b20-14-InChIKey
LLXVPIPDNRJBCD-ZHZULCJRSA-NSynonyms
(5Z)3butyl5((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3butyl5((3(3nitrophenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)(N+)(=O)(O))C4=CC=CC=C4)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)(N+)(=O)(O))c2ccccc2)C1=O
InChI=1SC23H20N4O3S2c123122522(28)20(3223(25)31)14171526(1895461018)2421(17)16871119(1316)27(29)30h4111315H2312H21H3b2014
MFCD03461117
ZINC000002672569
ZINC02672569
ZINC2672569
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