Vitas-M small molecule compound

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

Catalog ID
STK706552
SMILES C=CCOc1ccc(cc1C)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 C29H29N3O2S2 MW 515.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O2S2/c1-3-16-34-25-15-14-21(17-20(25)2)27-22(19-31(30-27)23-10-6-4-7-11-23)18-26-28(33)32(29(35)36-26)24-12-8-5-9-13-24/h3-4,6-7,10-11,14-15,17-19,24H,1,5,8-9,12-13,16H2,2H3/b26-18-
InChIKey
FQTASWGNIZKFAU-ITYLOYPMSA-N
Synonyms

(5Z)3cyclohexyl5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOHEXYL5((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)3cyclohexyl2thioxothiazolidin4one
C=CCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCCC1)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)OCC=C
InChI=1SC29H29N3O2S2c13163425151421(1720(25)2)2722(1931(3027)23106471123)182628(33)32(29(35)3626)24128591324h346710111415171924H1589121316H22H3b2618
MFCD02997834
ZINC000002307205
ZINC02307205
ZINC2307205

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Available files

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