Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(4-chlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-hexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797851
SMILES CCCCCCN1C(=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 C32H30ClN3O2S2 MW 588.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClN3O2S2/c1-2-3-4-8-19-35-31(37)29(40-32(35)39)20-25-21-36(27-9-6-5-7-10-27)34-30(25)24-13-17-28(18-14-24)38-22-23-11-15-26(33)16-12-23/h5-7,9-18,20-21H,2-4,8,19,22H2,1H3/b29-20-InChIKey
VOWAAKVMZAQUBY-BRPDVVIDSA-NSynonyms
(5Z)5((3(4((4chlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3hexyl2thioxo13thiazolidin4one
(5Z)5((3(4((4CHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3HEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C5=CC=CC=C5)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCc2ccc(cc2)Cl)c2ccccc2)C1=O
InChI=1SC32H30ClN3O2S2c12348193531(37)29(4032(35)39)20252136(2796571027)3430(25)24131728(181424)382223111526(33)161223h579182021H2481922H21H3b2920
MFCD03417211
ZINC000100837976
ZINC100837976
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