Vitas-M small molecule compound

(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-pentyl-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK811480
SMILES CCCCCN1C(=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 C31H27Cl2N3O2S2 MW 608.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27Cl2N3O2S2/c1-2-3-7-16-35-30(37)28(40-31(35)39)17-23-19-36(25-8-5-4-6-9-25)34-29(23)21-11-14-26(15-12-21)38-20-22-10-13-24(32)18-27(22)33/h4-6,8-15,17-19H,2-3,7,16,20H2,1H3/b28-17-
InChIKey
YCKJDVZMVUSIFO-QRQIAZFYSA-N
Synonyms

(5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(4((24dichlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3pentyl2sulfanylidene13thiazolidin4one
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)C5=CC=CC=C5)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2Cl)Cl)c2ccccc2)C1=O
InChI=1SC31H27Cl2N3O2S2c1237163530(37)28(4031(35)39)17231936(258546925)3429(23)21111426(151221)382022101324(32)1827(22)33h468151719H2371620H21H3b2817
MFCD06264866
ZINC000097946446
ZINC97946446

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Available files

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