Vitas-M small molecule compound

(5Z)-3-(2-ethylhexyl)-5-{[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK706949
SMILES CCCCC(CN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2)OC)c2ccccc2)/C1=O)CC

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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/c1-4-6-11-20(5-2)18-30-27(32)25(35-28(30)34)17-22-19-31(23-13-8-7-9-14-23)29-26(22)21-12-10-15-24(16-21)33-3/h7-10,12-17,19-20H,4-6,11,18H2,1-3H3/b25-17-
InChIKey
BVMGPICDJGZAEX-UQQQWYQISA-N
Synonyms
1009770-04-0
(5Z)3(2ethylhexyl)5((3(3methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2ethylhexyl)5((3(3methoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3(2ethylhexyl)5((3(3methoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
1009770040
CCCCC(CC)CN1C(=O)C(=CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=Cc2cn(nc2c2cccc(c2)OC)c2ccccc2)C1=O)CC
InChI=1SC28H31N3O2S2c1461120(52)183027(32)25(3528(30)34)17221931(23138791423)2926(22)2112101524(1621)333h71012171920H461118H213H3b2517
MFCD04033054
ZINC000009164660
ZINC000009164661

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Available files

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