Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(3-ethoxypropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK823866
SMILES CCOCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)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 C31H27Cl2N3O3S2 MW 624.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27Cl2N3O3S2/c1-2-38-16-6-15-35-30(37)28(41-31(35)40)17-23-19-36(25-7-4-3-5-8-25)34-29(23)21-10-13-26(14-11-21)39-20-22-9-12-24(32)18-27(22)33/h3-5,7-14,17-19H,2,6,15-16,20H2,1H3/b28-17-InChIKey
ORWYRGVSVGZWRL-QRQIAZFYSA-NSynonyms
(5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(3ethoxypropyl)2thioxo13thiazolidin4one
(5Z)5((3(4((24dichlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3(3ethoxypropyl)2sulfanylidene13thiazolidin4one
CCOCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)SC1=S
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)c2ccccc2)C1=O
InChI=1SC31H27Cl2N3O3S2c1238166153530(37)28(4131(35)40)17231936(257435825)3429(23)21101326(141121)39202291224(32)1827(22)33h357141719H26151620H21H3b2817
MFCD18075746
ZINC000097947209
ZINC97947209
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