Vitas-M small molecule compound
5-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,4-dimethyl-2-oxo-6-(piperidin-1-yl)-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STL005030
SMILES COCCCN1C(=S)S/C(=C\c2c(N3CCCCC3)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 C21H26N4O3S2 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S2/c1-14-15(12-17-20(27)25(21(29)30-17)10-7-11-28-3)18(24-8-5-4-6-9-24)23(2)19(26)16(14)13-22/h12H,4-11H2,1-3H3/b17-12-InChIKey
IQLKJERUDJEKDL-ATVHPVEESA-NSynonyms
620154-67-8(Z)5((3(3methoxypropyl)4oxo2thioxothiazolidin5ylidene)methyl)14dimethyl2oxo6(piperidin1yl)12dihydropyridine3carbonitrile
5((Z)(3(3METHOXYPROPYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)14DIMETHYL2OXO6PIPERIDIN1YLPYRIDINE3CARBONITRILE
5((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)14dimethyl2oxo6(piperidin1yl)12dihydropyridine3carbonitrile
620154678
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CCCOC)N3CCCCC3)C)C#N
COCCCN1C(=S)SC(=Cc2c(N3CCCCC3)n(C)c(=O)c(c2C)C#N)C1=O
InChI=1SC21H26N4O3S2c11415(121720(27)25(21(29)3017)10711283)18(248546924)23(2)19(26)16(14)1322h12H411H213H3b1712
MFCD03685756
ZINC000002247315
ZINC02247315
ZINC2247315
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