Vitas-M small molecule compound
{(5Z)-5-[(3-{3-[(4-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STK706825
SMILES OC(=O)CN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)OCc2ccc(cc2)F)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 C28H20FN3O4S2 MW 545.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20FN3O4S2/c29-21-11-9-18(10-12-21)17-36-23-8-4-5-19(13-23)26-20(15-32(30-26)22-6-2-1-3-7-22)14-24-27(35)31(16-25(33)34)28(37)38-24/h1-15H,16-17H2,(H,33,34)/b24-14-InChIKey
SBQAYXABDAERPW-OYKKKHCWSA-NSynonyms
1009188-66-2((5Z)5((3(3((4fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(Z)2(5((3(3((4fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylene)4oxo2thioxothiazolidin3yl)aceticacid
1009188662
2((5Z)5((3(3((4FLUOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F)C=C5C(=O)N(C(=S)S5)CC(=O)O
InChI=1SC28H20FN3O4S2c292111918(101221)17362384519(1323)2620(1532(3026)226213722)142427(35)31(1625(33)34)28(37)3824h115H1617H2(H3334)b2414
MFCD04013151
OC(=O)CN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)OCc2ccc(cc2)F)c2ccccc2)C1=O
ZINC000002415131
ZINC2415131
Check stock
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Check stock on Vitas-MAvailable files
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