Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-heptyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798289
SMILES CCCCCCCN1C(=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 C33H32ClN3O2S2 MW 602.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClN3O2S2/c1-2-3-4-5-9-20-36-32(38)30(41-33(36)40)21-26-22-37(28-10-7-6-8-11-28)35-31(26)25-14-18-29(19-15-25)39-23-24-12-16-27(34)17-13-24/h6-8,10-19,21-22H,2-5,9,20,23H2,1H3/b30-21-InChIKey
DYONZFCSIJQFNL-OFWBYEQRSA-NSynonyms
(5Z)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3heptyl2thioxo13thiazolidin4one
(5Z)5((3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3HEPTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C1=O
InChI=1SC33H32ClN3O2S2c123459203632(38)30(4133(36)40)21262237(28107681128)3531(26)25141829(191525)392324121627(34)171324h6810192122H2592023H21H3b3021
MFCD03417619
ZINC000100838520
ZINC100838520
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