Vitas-M small molecule compound
3-{(5Z)-5-[(3-{3-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Catalog ID
STK706839
SMILES OC(=O)CCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)OCc2ccccc2Cl)c2ccccc2)/C1=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 C29H22ClN3O4S2 MW 576.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClN3O4S2/c30-24-12-5-4-7-20(24)18-37-23-11-6-8-19(15-23)27-21(17-33(31-27)22-9-2-1-3-10-22)16-25-28(36)32(29(38)39-25)14-13-26(34)35/h1-12,15-17H,13-14,18H2,(H,34,35)/b25-16-InChIKey
XTUGIRVBVYLHCD-XYGWBWBKSA-NSynonyms
(Z)3(5((3(3((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
3((5Z)5((3(3((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((3(3((2CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4Cl)C=C5C(=O)N(C(=S)S5)CCC(=O)O
InChI=1SC29H22ClN3O4S2c30241254720(24)183723116819(1523)2721(1733(3127)2292131022)162528(36)32(29(38)3925)141326(34)35h1121517H131418H2(H3435)b2516
MFCD04022280
OC(=O)CCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)OCc2ccccc2Cl)c2ccccc2)C1=O
ZINC000097947248
ZINC97947248
Check stock
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Check stock on Vitas-MAvailable files
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