Vitas-M small molecule compound
(5Z)-3-ethyl-5-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798754
SMILES CCN1C(=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 C28H22FN3O2S2 MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22FN3O2S2/c1-2-31-27(33)25(36-28(31)35)16-21-17-32(22-9-4-3-5-10-22)30-26(21)19-12-14-23(15-13-19)34-18-20-8-6-7-11-24(20)29/h3-17H,2,18H2,1H3/b25-16-InChIKey
IZEYALOLMDWTFN-XYGWBWBKSA-NSynonyms
(5Z)3ethyl5((3(4((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3ethyl5((3(4((2fluorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4F)C5=CC=CC=C5)SC1=S
CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2F)c2ccccc2)C1=O
InChI=1SC28H22FN3O2S2c123127(33)25(3628(31)35)16211732(2294351022)3026(21)19121423(151319)3418208671124(20)29h317H218H21H3b2516
MFCD03417822
ZINC000002671373
ZINC02671373
ZINC2671373
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