Vitas-M small molecule compound
3-{(5Z)-5-[(3-{3-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Catalog ID
STK817790
SMILES CC1CCCN(C1)S(=O)(=O)c1cccc(c1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCC(=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 C28H28N4O5S3 MW 596.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O5S3/c1-19-7-6-13-30(17-19)40(36,37)23-11-5-8-20(15-23)26-21(18-32(29-26)22-9-3-2-4-10-22)16-24-27(35)31(28(38)39-24)14-12-25(33)34/h2-5,8-11,15-16,18-19H,6-7,12-14,17H2,1H3,(H,33,34)/b24-16-InChIKey
YAIYLBOTYOFLTK-JLPGSUDCSA-NSynonyms
3((5Z)5((3(3((3methylpiperidin1yl)sulfonyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((3(3(3METHYLPIPERIDIN1YL)SULFONYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
CC1CCCN(C1)S(=O)(=O)c1cccc(c1)c1nn(cc1C=C1SC(=S)N(C1=O)CCC(=O)O)c1ccccc1
CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C4C(=O)N(C(=S)S4)CCC(=O)O)C5=CC=CC=C5
InChI=1SC28H28N4O5S3c119761330(1719)40(3637)23115820(1523)2621(1832(2926)2293241022)162427(35)31(28(38)3924)141225(33)34h2581115161819H67121417H21H3(H3334)b2416
MFCD06315763
ZINC000100903849
ZINC000100903850
Check stock
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Check stock on Vitas-MAvailable files
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