Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-heptyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK798293
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)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/c1-2-3-4-5-11-20-36-32(38)30(41-33(36)40)21-26-22-37(27-13-7-6-8-14-27)35-31(26)24-16-18-28(19-17-24)39-23-25-12-9-10-15-29(25)34/h6-10,12-19,21-22H,2-5,11,20,23H2,1H3/b30-21-InChIKey
BANOYRULRGLPMJ-OFWBYEQRSA-NSynonyms
(5Z)5((3(4((2chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3heptyl2thioxo13thiazolidin4one
(5Z)5((3(4((2chlorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)3heptyl2sulfanylidene13thiazolidin4one
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)C5=CC=CC=C5)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccccc2Cl)c2ccccc2)C1=O
InChI=1SC33H32ClN3O2S2c1234511203632(38)30(4133(36)40)21262237(27137681427)3531(26)24161828(191724)392325129101529(25)34h61012192122H25112023H21H3b3021
MFCD03418059
ZINC000100838527
ZINC100838527
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