Vitas-M small molecule compound
{(5Z)-5-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STK798304
SMILES OC(=O)CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2F)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/c29-23-9-5-4-6-19(23)17-36-22-12-10-18(11-13-22)26-20(15-32(30-26)21-7-2-1-3-8-21)14-24-27(35)31(16-25(33)34)28(37)38-24/h1-15H,16-17H2,(H,33,34)/b24-14-InChIKey
GYAPMLCZKULZGK-OYKKKHCWSA-NSynonyms
((5Z)5((3(4((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((3(4((2FLUOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4F)C=C5C(=O)N(C(=S)S5)CC(=O)O
InChI=1SC28H20FN3O4S2c2923954619(23)173622121018(111322)2620(1532(3026)217213821)142427(35)31(1625(33)34)28(37)3824h115H1617H2(H3334)b2414
MFCD03417631
OC(=O)CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2F)c2ccccc2)C1=O
ZINC000002665861
ZINC2665861
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