Vitas-M small molecule compound

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

Catalog ID
STK903425
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)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 C30H33N3O2S2 MW 531.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O2S2/c1-3-4-17-35-25-15-16-26(21(2)18-25)28-22(20-32(31-28)23-11-7-5-8-12-23)19-27-29(34)33(30(36)37-27)24-13-9-6-10-14-24/h5,7-8,11-12,15-16,18-20,24H,3-4,6,9-10,13-14,17H2,1-2H3/b27-19-
InChIKey
QEZPRAOSXQIWLQ-DIBXZPPDSA-N
Synonyms
955888-90-1
(5Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3cyclohexyl2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3CYCLOHEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3cyclohexyl2thioxothiazolidin4one
955888901
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCCC1)c1ccccc1
InChI=1SC30H33N3O2S2c134173525151626(21(2)1825)2822(2032(3128)23117581223)192729(34)33(30(36)3727)241396101424h57811121516182024H346910131417H212H3b2719
MFCD03666963
ZINC000013646562
ZINC13646562

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Available files

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