Vitas-M small molecule compound
5-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STK514692
SMILES N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)Cc2ccccc2)c(n(c1=O)C)N1CCN(CC1)c1ccc(cc1)F
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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 C29H26FN5O2S2 MW 559.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26FN5O2S2/c1-19-23(16-25-28(37)35(29(38)39-25)18-20-6-4-3-5-7-20)26(32(2)27(36)24(19)17-31)34-14-12-33(13-15-34)22-10-8-21(30)9-11-22/h3-11,16H,12-15,18H2,1-2H3/b25-16-InChIKey
JXUSDFYKAWUSSB-XYGWBWBKSA-NSynonyms
5((Z)(3BENZYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)6(4(4FLUOROPHENYL)PIPERAZIN1YL)14DIMETHYL2OXOPYRIDINE3CARBONITRILE
5((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)6(4(4fluorophenyl)piperazin1yl)14dimethyl2oxo12dihydropyridine3carbonitrile
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F)C)C#N
InChI=1SC29H26FN5O2S2c11923(162528(37)35(29(38)3925)18206435720)26(32(2)27(36)24(19)1731)34141233(131534)2210821(30)91122h31116H121518H212H3b2516
MFCD06644952
N#Cc1c(C)c(C=C2SC(=S)N(C2=O)Cc2ccccc2)c(n(c1=O)C)N1CCN(CC1)c1ccc(cc1)F
ZINC000097946772
ZINC97946772
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.