Vitas-M small molecule compound
2-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
Catalog ID
STL356647
SMILES OC(=O)CC(N1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)Cl)c2ccccc2)/C1=O)C(=O)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 C23H16ClN3O5S2 MW 513.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O5S2/c24-15-8-6-13(7-9-15)20-14(12-26(25-20)16-4-2-1-3-5-16)10-18-21(30)27(23(33)34-18)17(22(31)32)11-19(28)29/h1-10,12,17H,11H2,(H,28,29)(H,31,32)/b18-10-InChIKey
CJXFLYOLLOBLEA-ZDLGFXPLSA-NSynonyms
(Z)2(5((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)succinicacid
2((5Z)5((3(4chlorophenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanedioicacid
2((5Z)5((3(4CHLOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANEDIOICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=C4C(=O)N(C(=S)S4)C(CC(=O)O)C(=O)O
InChI=1SC23H16ClN3O5S2c24158613(7915)2014(1226(2520)164213516)101821(30)27(23(33)3418)17(22(31)32)1119(28)29h1101217H11H2(H2829)(H3132)b1810
MFCD04173642
OC(=O)CC(N1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)Cl)c2ccccc2)C1=O)C(=O)O
ZINC000002425027
ZINC000002425029
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.