Vitas-M small molecule compound
ethyl 5-cyano-2-methyl-6-[(2-{[(2Z)-4-methyl-1,3-thiazol-2(3H)-ylidene]amino}-2-oxoethyl)sulfanyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL151433
SMILES CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)/N=c/1\scc([nH]1)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 C20H20N4O3S3 MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S3/c1-4-27-19(26)16-12(3)23-18(13(8-21)17(16)14-6-5-7-28-14)29-10-15(25)24-20-22-11(2)9-30-20/h5-7,9,17,23H,4,10H2,1-3H3,(H,22,24,25)InChIKey
ZSQGVFAXWUEUMP-UHFFFAOYSA-NSynonyms
370840-32-7370840327
CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C#N)SCC(=O)N=c1scc((nH)1)C
CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC3=NC(=CS3)C)C
ethyl5cyano2methyl6((2(((2Z)4methyl13thiazol2(3H)ylidene)amino)2oxoethyl)sulfanyl)4(thiophen2yl)14dihydropyridine3carboxylate
ETHYL5CYANO2METHYL6(2((4METHYL13THIAZOL2YL)AMINO)2OXOETHYL)SULFANYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC20H20N4O3S3c142719(26)1612(3)2318(13(821)17(16)146572814)291015(25)24202211(2)93020h5791723H410H213H3(H222425)
MFCD08733608
ZINC000100690462
ZINC000100690466
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