Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797768
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2)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 C31H28ClN3O2S2 MW 574.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O2S2/c1-2-3-7-18-34-30(36)28(39-31(34)38)19-24-20-35(26-8-5-4-6-9-26)33-29(24)23-12-16-27(17-13-23)37-21-22-10-14-25(32)15-11-22/h4-6,8-17,19-20H,2-3,7,18,21H2,1H3/b28-19-InChIKey
XBJFTYHQYVSFJW-USHMODERSA-NSynonyms
(5Z)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C1=O
InChI=1SC31H28ClN3O2S2c1237183430(36)28(3931(34)38)19242035(268546926)3329(24)23121627(171323)372122101425(32)151122h468171920H2371821H21H3b2819
MFCD03417151
ZINC000100837887
ZINC100837887
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