Vitas-M small molecule compound
(5Z)-3-hexyl-5-{[3-(naphthalen-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK808711
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc3c(c2)cccc3)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 C29H27N3OS2 MW 497.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3OS2/c1-2-3-4-10-17-31-28(33)26(35-29(31)34)19-24-20-32(25-13-6-5-7-14-25)30-27(24)23-16-15-21-11-8-9-12-22(21)18-23/h5-9,11-16,18-20H,2-4,10,17H2,1H3/b26-19-InChIKey
SGGBJHOVQUFNQK-XHPQRKPJSA-NSynonyms
(5Z)3hexyl5((3(naphthalen2yl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3hexyl5((3naphthalen2yl1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
3HEXYL5((3(NAPHTHALEN2YL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc3c(c2)cccc3)c2ccccc2)C1=O
InChI=1SC29H27N3OS2c123410173128(33)26(3529(31)34)19242032(25136571425)3027(24)2316152111891222(21)1823h5911161820H241017H21H3b2619
MFCD03461092
ZINC000002666933
ZINC02666933
ZINC2666933
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