Vitas-M small molecule compound
(5Z)-5-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-pentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK797027
SMILES CCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCC(C)C)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 C28H31N3O2S2 MW 505.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S2/c1-4-5-9-16-30-27(32)25(35-28(30)34)17-22-18-31(23-10-7-6-8-11-23)29-26(22)21-12-14-24(15-13-21)33-19-20(2)3/h6-8,10-15,17-18,20H,4-5,9,16,19H2,1-3H3/b25-17-InChIKey
RSHDJWPZJHGOQS-UQQQWYQISA-NSynonyms
882216-25-3(5Z)5((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3pentyl2thioxo13thiazolidin4one
(5Z)5((3(4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4isobutoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3pentyl2thioxothiazolidin4one
882216253
CCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC(C)C)C4=CC=CC=C4)SC1=S
CCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCC(C)C)c2ccccc2)C1=O
InChI=1SC28H31N3O2S2c1459163027(32)25(3528(30)34)17221831(23107681123)2926(22)21121424(151321)331920(2)3h681015171820H4591619H213H3b2517
MFCD03225810
ZINC000009374809
ZINC09374809
ZINC9374809
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