Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797764
SMILES CC(CN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)/C1=O)C
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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 C30H26ClN3O2S2 MW 560.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O2S2/c1-20(2)17-33-29(35)27(38-30(33)37)16-23-18-34(25-6-4-3-5-7-25)32-28(23)22-10-14-26(15-11-22)36-19-21-8-12-24(31)13-9-21/h3-16,18,20H,17,19H2,1-2H3/b27-16-InChIKey
OKTBXWAOSCZRFH-YUMHPJSZSA-NSynonyms
(5Z)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methylpropyl)2thioxo13thiazolidin4one
(5Z)5((3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC(C)CN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC1=S
CC(CN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C1=O)C
InChI=1SC30H26ClN3O2S2c120(2)173329(35)27(3830(33)37)16231834(256435725)3228(23)22101426(151122)36192181224(31)13921h3161820H1719H212H3b2716
MFCD03417147
ZINC000100837881
ZINC100837881
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