Vitas-M small molecule compound
(5Z)-3-(3-ethoxypropyl)-5-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798526
SMILES CCOCCCN1C(=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 C31H28FN3O3S2 MW 573.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FN3O3S2/c1-2-37-18-8-17-34-30(36)28(40-31(34)39)19-24-20-35(25-10-4-3-5-11-25)33-29(24)22-13-15-26(16-14-22)38-21-23-9-6-7-12-27(23)32/h3-7,9-16,19-20H,2,8,17-18,21H2,1H3/b28-19-InChIKey
VDCOVDHBMWOKDV-USHMODERSA-NSynonyms
(5Z)3(3ethoxypropyl)5((3(4((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(3ethoxypropyl)5((3(4((2fluorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCOCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4F)C5=CC=CC=C5)SC1=S
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2F)c2ccccc2)C1=O
InChI=1SC31H28FN3O3S2c1237188173430(36)28(4031(34)39)19242035(25104351125)3329(24)22131526(161422)3821239671227(23)32h379161920H28171821H21H3b2819
MFCD03417729
ZINC000100838946
ZINC100838946
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