Vitas-M small molecule compound
1,4-dimethyl-5-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-6-(4-methylpiperazin-1-yl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STL240449
SMILES N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CCC(C)C)c(n(c1=O)C)N1CCN(CC1)C
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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 C22H29N5O2S2 MW 459.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O2S2/c1-14(2)6-7-27-21(29)18(31-22(27)30)12-16-15(3)17(13-23)20(28)25(5)19(16)26-10-8-24(4)9-11-26/h12,14H,6-11H2,1-5H3/b18-12-InChIKey
GXEXZJHUVSUDAL-PDGQHHTCSA-NSynonyms
620149-20-4(Z)5((3isopentyl4oxo2thioxothiazolidin5ylidene)methyl)14dimethyl6(4methylpiperazin1yl)2oxo12dihydropyridine3carbonitrile
14DIMETHYL5((Z)(3(3METHYLBUTYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)6(4METHYLPIPERAZIN1YL)2OXOPYRIDINE3CARBONITRILE
14dimethyl5((Z)(3(3methylbutyl)4oxo2thioxo13thiazolidin5ylidene)methyl)6(4methylpiperazin1yl)2oxo12dihydropyridine3carbonitrile
620149204
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCC(C)C)N3CCN(CC3)C)C)C#N
InChI=1SC22H29N5O2S2c114(2)672721(29)18(3122(27)30)121615(3)17(1323)20(28)25(5)19(16)2610824(4)91126h1214H611H215H3b1812
MFCD03686883
N#Cc1c(C)c(C=C2SC(=S)N(C2=O)CCC(C)C)c(n(c1=O)C)N1CCN(CC1)C
ZINC000002249167
ZINC2249167
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.