Vitas-M small molecule compound
2-[(5Z)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid
Catalog ID
STK814434
SMILES Fc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCS(=O)(=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 C21H16FN3O4S3 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FN3O4S3/c22-16-8-6-14(7-9-16)19-15(13-25(23-19)17-4-2-1-3-5-17)12-18-20(26)24(21(30)31-18)10-11-32(27,28)29/h1-9,12-13H,10-11H2,(H,27,28,29)/b18-12-InChIKey
BJYVQMXEGPXDGX-PDGQHHTCSA-NSynonyms
2((5Z)5((3(4fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)ethanesulfonicacid
2((5Z)5((3(4FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANESULFONICACID
2(5((3(4FLUOROPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)ETHANESULFONICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=C4C(=O)N(C(=S)S4)CCS(=O)(=O)O
Fc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1
InChI=1SC21H16FN3O4S3c22168614(7916)1915(1325(2319)174213517)121820(26)24(21(30)3118)101132(2728)29h191213H1011H2(H272829)b1812
MFCD04442189
ZINC000002533576
ZINC2533576
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.