Vitas-M small molecule compound

2-(1,3-benzothiazol-2-ylsulfanyl)-1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone

Catalog ID
STK789062
SMILES CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)CSc1nc2c(s1)cccc2)(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 C23H20N2O2S5 MW 516.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O2S5/c1-4-27-13-9-10-16-14(11-13)19-20(31-32-21(19)28)23(2,3)25(16)18(26)12-29-22-24-15-7-5-6-8-17(15)30-22/h5-11H,4,12H2,1-3H3
InChIKey
RTNAUQNZTCAPDJ-UHFFFAOYSA-N
Synonyms
329206-27-1
2(13BENZOTHIAZOL2YLSULFANYL)1(8ETHOXY44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)ETHANONE
2(13benzothiazol2ylsulfanyl)1(8ethoxy44dimethyl1thioxo14dihydro5H(12)dithiolo(34c)quinolin5yl)ethanone
2(benzo(d)thiazol2ylthio)1(8ethoxy44dimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)ethanone
2BENZOTHIAZOL2YLTHIO1(8ETHOXY44DIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL))ETHAN1ONE
329206271
5((13BENZOTHIAZOL2YLSULFANYL)ACETYL)8ETHOXY44DIMETHYL45DIHYDRO1H(12)DITHIOLO(34C)QUINOLINE1THIONE
CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CSC4=NC5=CC=CC=C5S4
InChI=1SC23H20N2O2S5c1427139101614(1113)1920(313221(19)28)23(23)25(16)18(26)1229222415756817(15)3022h511H412H213H3
MFCD00657996
ZINC000001752724
ZINC01752724
ZINC1752724

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.