Vitas-M small molecule compound
[(5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK881147
SMILES CCCCSc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC(=O)O)c1ccccc1
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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 C25H23N3O3S3 MW 509.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S3/c1-2-3-13-33-20-11-9-17(10-12-20)23-18(15-28(26-23)19-7-5-4-6-8-19)14-21-24(31)27(16-22(29)30)25(32)34-21/h4-12,14-15H,2-3,13,16H2,1H3,(H,29,30)/b21-14-InChIKey
PQJSYPRTZWHSKJ-STZFKDTASA-NSynonyms
1009185-58-3((5Z)5((3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(Z)2(5((3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)aceticacid
1009185583
2((5Z)5((3(4BUTYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC(=O)O)C4=CC=CC=C4
CCCCSc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CC(=O)O)c1ccccc1
InChI=1SC25H23N3O3S3c12313332011917(101220)2318(1528(2623)197546819)142124(31)27(1622(29)30)25(32)3421h4121415H231316H21H3(H2930)b2114
MFCD03689382
ZINC000009461998
ZINC9461998
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