Vitas-M small molecule compound
6-(azepan-1-yl)-1,4-dimethyl-2-oxo-5-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STK849105
SMILES CCCN1C(=S)S/C(=C\c2c(N3CCCCCC3)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 C21H26N4O2S2 MW 430.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S2/c1-4-9-25-20(27)17(29-21(25)28)12-15-14(2)16(13-22)19(26)23(3)18(15)24-10-7-5-6-8-11-24/h12H,4-11H2,1-3H3/b17-12-InChIKey
GSDJQINXTZSPLA-ATVHPVEESA-NSynonyms
619268-48-3(Z)6(azepan1yl)14dimethyl2oxo5((4oxo3propyl2thioxothiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
6(AZEPAN1YL)14DIMETHYL2OXO5((Z)(4OXO3PROPYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDINE3CARBONITRILE
6(azepan1yl)14dimethyl2oxo5((Z)(4oxo3propyl2thioxo13thiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
619268483
CCCN1C(=O)C(=CC2=C(N(C(=O)C(=C2C)C#N)C)N3CCCCCC3)SC1=S
CCCN1C(=S)SC(=Cc2c(N3CCCCCC3)n(C)c(=O)c(c2C)C#N)C1=O
InChI=1SC21H26N4O2S2c1492520(27)17(2921(25)28)121514(2)16(1322)19(26)23(3)18(15)241075681124h12H411H213H3b1712
MFCD03694930
ZINC000009346309
ZINC09346309
ZINC9346309
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