Vitas-M small molecule compound
(5Z)-3-hexyl-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK702580
SMILES CCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OC(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/c1-4-5-6-10-17-30-27(32)25(35-28(30)34)18-22-19-31(23-11-8-7-9-12-23)29-26(22)21-13-15-24(16-14-21)33-20(2)3/h7-9,11-16,18-20H,4-6,10,17H2,1-3H3/b25-18-InChIKey
ZIIGSNOBXLXBMQ-BWAHOGKJSA-NSynonyms
(5Z)3hexyl5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3HEXYL5((1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3hexyl5((3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OC(C)C)C4=CC=CC=C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OC(C)C)c2ccccc2)C1=O
InChI=1SC28H31N3O2S2c145610173027(32)25(3528(30)34)18221931(23118791223)2926(22)21131524(161421)3320(2)3h7911161820H461017H213H3b2518
MFCD02990779
ZINC000009348344
ZINC09348344
ZINC9348344
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