Vitas-M small molecule compound
11-{(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}undecanoic acid
Catalog ID
STK798297
SMILES OC(=O)CCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)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 C37H38ClN3O4S2 MW 688.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H38ClN3O4S2/c38-32-17-12-11-14-28(32)26-45-31-21-19-27(20-22-31)35-29(25-41(39-35)30-15-8-7-9-16-30)24-33-36(44)40(37(46)47-33)23-13-6-4-2-1-3-5-10-18-34(42)43/h7-9,11-12,14-17,19-22,24-25H,1-6,10,13,18,23,26H2,(H,42,43)/b33-24-InChIKey
QJAVGAMTWXDOBO-GIBOGKFOSA-NSynonyms
11((5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(4((2CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
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)CCCCCCCCCCC(=O)O
InChI=1SC37H38ClN3O4S2c38321712111428(32)264531211927(202231)3529(2541(3935)30158791630)243336(44)40(37(46)4733)2313642135101834(42)43h791112141719222425H161013182326H2(H4243)b3324
MFCD03417624
OC(=O)CCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C1=O
ZINC000150399596
ZINC150399596
Check stock
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Check stock on Vitas-MAvailable files
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