Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-cyclopentyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813462
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCC1)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 C29H31N3O2S2 MW 517.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2S2/c1-3-4-16-34-25-15-14-21(17-20(25)2)27-22(19-31(30-27)23-10-6-5-7-11-23)18-26-28(33)32(29(35)36-26)24-12-8-9-13-24/h5-7,10-11,14-15,17-19,24H,3-4,8-9,12-13,16H2,1-2H3/b26-18-InChIKey
XLGCUEIKTLIHBH-ITYLOYPMSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3cyclopentyl2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3CYCLOPENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
5((3(4BUTOXY3METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3CYCLOPENTYL2THIOXOTHIAZOLIDIN4ONE
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCC4)C5=CC=CC=C5)C
CCCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCC1)c1ccccc1
InChI=1SC29H31N3O2S2c134163425151421(1720(25)2)2722(1931(3027)23106571123)182628(33)32(29(35)3626)2412891324h5710111415171924H3489121316H212H3b2618
MFCD04441582
ZINC000002533175
ZINC02533175
ZINC2533175
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