Vitas-M small molecule compound
2-{(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonic acid
Catalog ID
STK798424
SMILES S=C1S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)/C(=O)N1CCS(=O)(=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 C28H22ClN3O5S3 MW 612.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O5S3/c29-24-9-5-4-6-20(24)18-37-23-12-10-19(11-13-23)26-21(17-32(30-26)22-7-2-1-3-8-22)16-25-27(33)31(28(38)39-25)14-15-40(34,35)36/h1-13,16-17H,14-15,18H2,(H,34,35,36)/b25-16-InChIKey
WILPFKVTYXJQQV-XYGWBWBKSA-NSynonyms
2((5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)ethanesulfonicacid
2((5Z)5((3(4((2CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANESULFONICACID
2(5((3(4(2CHLOROBENZYLOXY)PHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)4OXO2THIOXOTHIAZOLIDIN3YL)ETHANESULFONICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C=C5C(=O)N(C(=S)S5)CCS(=O)(=O)O
InChI=1SC28H22ClN3O5S3c2924954620(24)183723121019(111323)2621(1732(3026)227213822)162527(33)31(28(38)3925)141540(3435)36h1131617H141518H2(H343536)b2516
MFCD03461976
S=C1SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C(=O)N1CCS(=O)(=O)O
ZINC000049694485
ZINC49694485
Check stock
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Check stock on Vitas-MAvailable files
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