Vitas-M small molecule compound
6-(azepan-1-yl)-5-{(Z)-[3-(butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STL051625
SMILES CCC(N1C(=S)S/C(=C\c2c(N3CCCCCC3)n(C)c(=O)c(c2C)C#N)/C1=O)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 C22H28N4O2S2 MW 444.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S2/c1-5-14(2)26-21(28)18(30-22(26)29)12-16-15(3)17(13-23)20(27)24(4)19(16)25-10-8-6-7-9-11-25/h12,14H,5-11H2,1-4H3/b18-12-InChIKey
OUMOVKGKKKARCN-PDGQHHTCSA-NSynonyms
619268-50-7(Z)6(azepan1yl)5((3(secbutyl)4oxo2thioxothiazolidin5ylidene)methyl)14dimethyl2oxo12dihydropyridine3carbonitrile
6(azepan1yl)5((Z)(3(butan2yl)4oxo2thioxo13thiazolidin5ylidene)methyl)14dimethyl2oxo12dihydropyridine3carbonitrile
6(AZEPAN1YL)5((Z)(3BUTAN2YL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)14DIMETHYL2OXOPYRIDINE3CARBONITRILE
619268507
CCC(C)N1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCCCCC3)SC1=S
CCC(N1C(=S)SC(=Cc2c(N3CCCCCC3)n(C)c(=O)c(c2C)C#N)C1=O)C
InChI=1SC22H28N4O2S2c1514(2)2621(28)18(3022(26)29)121615(3)17(1323)20(27)24(4)19(16)251086791125h1214H511H214H3b1812
MFCD03691668
ZINC000009346214
ZINC000011614285
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