Vitas-M small molecule compound
(5Z)-3-butyl-5-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702664
SMILES CCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCC(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/c1-4-5-16-30-27(32)25(35-28(30)34)18-22-19-31(23-9-7-6-8-10-23)29-26(22)21-11-13-24(14-12-21)33-17-15-20(2)3/h6-14,18-20H,4-5,15-17H2,1-3H3/b25-18-InChIKey
LBDVBCMCEYHEIO-BWAHOGKJSA-NSynonyms
(5Z)3butyl5((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3BUTYL5((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3butyl5((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCC(C)C)C4=CC=CC=C4)SC1=S
CCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCCC(C)C)c2ccccc2)C1=O
InChI=1SC28H31N3O2S2c145163027(32)25(3528(30)34)18221931(2397681023)2926(22)21111324(141221)33171520(2)3h6141820H451517H213H3b2518
MFCD02996071
ZINC000013810095
ZINC13810095
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