Vitas-M small molecule compound
(5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK881137
SMILES CCCCSc1ccc(cc1)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 C29H31N3OS3 MW 533.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3OS3/c1-2-3-18-35-25-16-14-21(15-17-25)27-22(20-31(30-27)23-10-6-4-7-11-23)19-26-28(33)32(29(34)36-26)24-12-8-5-9-13-24/h4,6-7,10-11,14-17,19-20,24H,2-3,5,8-9,12-13,18H2,1H3/b26-19-InChIKey
SGMFGMXDUAUFIN-XHPQRKPJSA-NSynonyms
1009434-43-8(5Z)5((3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)3cyclohexyl2thioxo13thiazolidin4one
(5Z)5((3(4BUTYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3CYCLOHEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)methylene)3cyclohexyl2thioxothiazolidin4one
1009434438
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5
CCCCSc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCCC1)c1ccccc1
InChI=1SC29H31N3OS3c123183525161421(151725)2722(2031(3027)23106471123)192628(33)32(29(34)3626)24128591324h46710111417192024H23589121318H21H3b2619
MFCD03689967
ZINC000101012022
ZINC101012022
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