Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798281
SMILES CCCCCCN1C(=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 C32H30FN3O2S2 MW 571.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30FN3O2S2/c1-2-3-4-10-19-35-31(37)29(40-32(35)39)20-25-21-36(26-12-6-5-7-13-26)34-30(25)23-15-17-27(18-16-23)38-22-24-11-8-9-14-28(24)33/h5-9,11-18,20-21H,2-4,10,19,22H2,1H3/b29-20-InChIKey
JZVHTRUJFWBLCM-BRPDVVIDSA-NSynonyms
(5Z)5((3(4((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(4((2fluorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3hexyl2sulfanylidene13thiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4F)C5=CC=CC=C5)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2F)c2ccccc2)C1=O
InChI=1SC32H30FN3O2S2c123410193531(37)29(4032(35)39)20252136(26126571326)3430(25)23151727(181623)38222411891428(24)33h5911182021H24101922H21H3b2920
MFCD03417613
ZINC000100838494
ZINC100838494
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