Vitas-M small molecule compound
5-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STL052395
SMILES COCCCN1C(=S)S/C(=C\c2c(N3CCN(CC3)C)n(C)c(=O)c(c2C)C#N)/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 C21H27N5O3S2 MW 461.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3S2/c1-14-15(12-17-20(28)26(21(30)31-17)6-5-11-29-4)18(24(3)19(27)16(14)13-22)25-9-7-23(2)8-10-25/h12H,5-11H2,1-4H3/b17-12-InChIKey
HPYHNWPBHGSHLU-ATVHPVEESA-NSynonyms
620149-35-1(Z)5((3(3methoxypropyl)4oxo2thioxothiazolidin5ylidene)methyl)14dimethyl6(4methylpiperazin1yl)2oxo12dihydropyridine3carbonitrile
5((Z)(3(3METHOXYPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)14DIMETHYL6(4METHYLPIPERAZIN1YL)2OXOPYRIDINE3CARBONITRILE
5((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)14dimethyl6(4methylpiperazin1yl)2oxo12dihydropyridine3carbonitrile
620149351
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCCOC)N3CCN(CC3)C)C)C#N
COCCCN1C(=S)SC(=Cc2c(N3CCN(CC3)C)n(C)c(=O)c(c2C)C#N)C1=O
InChI=1SC21H27N5O3S2c11415(121720(28)26(21(30)3117)6511294)18(24(3)19(27)16(14)1322)259723(2)81025h12H511H214H3b1712
MFCD03692188
ZINC000002360738
ZINC2360738
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