Vitas-M small molecule compound
1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]ethanone
Catalog ID
STK871389
SMILES CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)CSc1nc(C)cc(n1)O)(C)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 C21H21N3O3S4 MW 491.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S4/c1-5-27-12-6-7-14-13(9-12)17-18(30-31-19(17)28)21(3,4)24(14)16(26)10-29-20-22-11(2)8-15(25)23-20/h6-9H,5,10H2,1-4H3,(H,22,23,25)InChIKey
ZQBHOYAMODMUHY-UHFFFAOYSA-NSynonyms
1(8ethoxy44dimethyl1thioxo14dihydro5H(12)dithiolo(34c)quinolin5yl)2((4hydroxy6methylpyrimidin2yl)sulfanyl)ethanone
1(8ethoxy44dimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)2((4hydroxy6methylpyrimidin2yl)thio)ethanone
2(2(8ETHOXY44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)2OXOETHYL)SULFANYL6METHYL1HPYRIMIDIN4ONE
CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CSC4=NC(=O)C=C(N4)C
InChI=1SC21H21N3O3S4c152712671413(912)1718(303119(17)28)21(34)24(14)16(26)1029202211(2)815(25)2320h69H510H214H3(H222325)
MFCD02817280
ZINC000009065446
ZINC9065446
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