Vitas-M small molecule compound
ethyl 4-{5-cyano-3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethyl-6-oxo-1,6-dihydropyridin-2-yl}piperazine-1-carboxylate
Catalog ID
STL009803
SMILES CCOC(=O)N1CCN(CC1)c1c(/C=C/2\SC(=S)N(C2=O)C2CCCCC2)c(C)c(c(=O)n1C)C#N
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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 C25H31N5O4S2 MW 529.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O4S2/c1-4-34-24(33)29-12-10-28(11-13-29)21-18(16(2)19(15-26)22(31)27(21)3)14-20-23(32)30(25(35)36-20)17-8-6-5-7-9-17/h14,17H,4-13H2,1-3H3/b20-14-InChIKey
GUNYZETTZHDOHJ-ZHZULCJRSA-NSynonyms
619268-99-4(Z)ethyl4(5cyano3((3cyclohexyl4oxo2thioxothiazolidin5ylidene)methyl)14dimethyl6oxo16dihydropyridin2yl)piperazine1carboxylate
619268994
CCOC(=O)N1CCN(CC1)c1c(C=C2SC(=S)N(C2=O)C2CCCCC2)c(C)c(c(=O)n1C)C#N
CCOC(=O)N1CCN(CC1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)C4CCCCC4
ETHYL4(5CYANO3((Z)(3CYCLOHEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)14DIMETHYL6OXOPYRIDIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(5cyano3((Z)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)14dimethyl6oxo16dihydropyridin2yl)piperazine1carboxylate
InChI=1SC25H31N5O4S2c143424(33)29121028(111329)2118(16(2)19(1526)22(31)27(21)3)142023(32)30(25(35)3620)178657917h1417H413H213H3b2014
MFCD03688191
ZINC000009461508
ZINC09461508
ZINC9461508
Check stock
See real-time availability and sample size for STL009803 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.