Vitas-M small molecule compound
11-{(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}undecanoic acid
Catalog ID
STK812182
SMILES OC(=O)CCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)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 C37H37Cl2N3O4S2 MW 722.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H37Cl2N3O4S2/c38-29-18-15-27(32(39)23-29)25-46-31-19-16-26(17-20-31)35-28(24-42(40-35)30-12-8-7-9-13-30)22-33-36(45)41(37(47)48-33)21-11-6-4-2-1-3-5-10-14-34(43)44/h7-9,12-13,15-20,22-24H,1-6,10-11,14,21,25H2,(H,43,44)/b33-22-InChIKey
LQYHDNIRIZMWFH-NVMPUMLXSA-NSynonyms
11((5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(4((24DICHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)C=C5C(=O)N(C(=S)S5)CCCCCCCCCCC(=O)O
InChI=1SC37H37Cl2N3O4S2c3829181527(32(39)2329)254631191626(172031)3528(2442(4035)30128791330)223336(45)41(37(47)4833)2111642135101434(43)44h79121315202224H161011142125H2(H4344)b3322
MFCD06264972
OC(=O)CCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)c2ccccc2)C1=O
ZINC000097946476
ZINC97946476
Check stock
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