Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-butyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702460
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCC)c1ccccc1
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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/c1-4-6-15-30-27(32)25(35-28(30)34)18-22-19-31(23-11-9-8-10-12-23)29-26(22)21-13-14-24(20(3)17-21)33-16-7-5-2/h8-14,17-19H,4-7,15-16H2,1-3H3/b25-18-InChIKey
MVEPJGNIVUYFHQ-BWAHOGKJSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3butyl2thioxo13thiazolidin4one
(5Z)5((3(4butoxy3methylphenyl)1phenylpyrazol4yl)methylidene)3butyl2sulfanylidene13thiazolidin4one
(Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3butyl2thioxothiazolidin4one
CCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCCC)C)C4=CC=CC=C4)SC1=S
CCCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCC)c1ccccc1
InChI=1SC28H31N3O2S2c146153027(32)25(3528(30)34)18221931(231198101223)2926(22)21131424(20(3)1721)3316752h8141719H471516H213H3b2518
MFCD02997793
ZINC000013810350
ZINC13810350
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