Vitas-M small molecule compound

(5Z)-3-cyclohexyl-5-({3-[3-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK702953
SMILES CC(Oc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)c1ccccc1)C

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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 C29H31N3O2S2 MW 517.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2S2/c1-19(2)34-25-15-14-21(16-20(25)3)27-22(18-31(30-27)23-10-6-4-7-11-23)17-26-28(33)32(29(35)36-26)24-12-8-5-9-13-24/h4,6-7,10-11,14-19,24H,5,8-9,12-13H2,1-3H3/b26-17-
InChIKey
JLLBMXKSVASNPJ-ONUIUJJFSA-N
Synonyms
383371-64-0
(5Z)3cyclohexyl5((3(3methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOHEXYL5((3(3METHYL4PROPAN2YLOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3cyclohexyl5((3(4isopropoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
383371640
CC(Oc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCCC1)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)OC(C)C
InChI=1SC29H31N3O2S2c119(2)3425151421(1620(25)3)2722(1831(3027)23106471123)172628(33)32(29(35)3626)24128591324h4671011141924H5891213H213H3b2617
MFCD02998986
ZINC000002309297
ZINC02309297
ZINC2309297

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Available files

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