Vitas-M small molecule compound
ethyl 4-{5-cyano-1,4-dimethyl-6-oxo-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,6-dihydropyridin-2-yl}piperazine-1-carboxylate
Catalog ID
STL004418
SMILES CCCCCN1C(=S)S/C(=C\c2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)C(=O)OCC)C)/C1=O
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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 C24H31N5O4S2 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31N5O4S2/c1-5-7-8-9-29-22(31)19(35-24(29)34)14-17-16(3)18(15-25)21(30)26(4)20(17)27-10-12-28(13-11-27)23(32)33-6-2/h14H,5-13H2,1-4H3/b19-14-InChIKey
YJPFDZXVXWZYHQ-RGEXLXHISA-NSynonyms
619268-90-5(Z)ethyl4(5cyano14dimethyl6oxo3((4oxo3pentyl2thioxothiazolidin5ylidene)methyl)16dihydropyridin2yl)piperazine1carboxylate
619268905
CCCCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCN(CC3)C(=O)OCC)SC1=S
CCCCCN1C(=S)SC(=Cc2c(C)c(C#N)c(=O)n(c2N2CCN(CC2)C(=O)OCC)C)C1=O
ETHYL4(5CYANO14DIMETHYL6OXO3((Z)(4OXO3PENTYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDIN2YL)PIPERAZINE1CARBOXYLATE
ethyl4(5cyano14dimethyl6oxo3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)16dihydropyridin2yl)piperazine1carboxylate
InChI=1SC24H31N5O4S2c157892922(31)19(3524(29)34)141716(3)18(1525)21(30)26(4)20(17)27101228(131127)23(32)3362h14H513H214H3b1914
MFCD03691943
ZINC000009462951
ZINC09462951
ZINC9462951
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.