Vitas-M small molecule compound
(5Z)-3-butyl-5-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK809149
SMILES CCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)[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/c1-2-3-13-25-22(28)20(32-23(25)31)14-17-15-26(18-7-5-4-6-8-18)24-21(17)16-9-11-19(12-10-16)27(29)30/h4-12,14-15H,2-3,13H2,1H3/b20-14-InChIKey
LJYCFIVBGFHNNN-ZHZULCJRSA-NSynonyms
(5Z)3butyl5((3(4nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BUTYL5((3(4NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CC=C4)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)(N+)(=O)(O))c2ccccc2)C1=O
InChI=1SC23H20N4O3S2c123132522(28)20(3223(25)31)14171526(187546818)2421(17)1691119(121016)27(29)30h4121415H2313H21H3b2014
MFCD03461215
ZINC000002672931
ZINC02672931
ZINC2672931
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