Vitas-M small molecule compound

2-(1,3-benzoxazol-2-ylsulfanyl)-1-(7-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone

Catalog ID
STK871017
SMILES COc1ccc2c(c1)N(C(=O)CSc1nc3c(o1)cccc3)C(c1c2c(=S)ss1)(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 C22H18N2O3S4 MW 486.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O3S4/c1-22(2)19-18(20(28)31-30-19)13-9-8-12(26-3)10-15(13)24(22)17(25)11-29-21-23-14-6-4-5-7-16(14)27-21/h4-10H,11H2,1-3H3
InChIKey
UTGGSGRDTIBUEE-UHFFFAOYSA-N
Synonyms
331944-57-1
2(13BENZOXAZOL2YLSULFANYL)1(7METHOXY44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)ETHANONE
2(13benzoxazol2ylsulfanyl)1(7methoxy44dimethyl1thioxo14dihydro5H(12)dithiolo(34c)quinolin5yl)ethanone
2(benzo(d)oxazol2ylthio)1(7methoxy44dimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)ethanone
2BENZOXAZOL2YLTHIO1(7METHOXY44DIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL))ETHAN1ONE
331944571
5((13BENZOXAZOL2YLSULFANYL)ACETYL)7METHOXY44DIMETHYL45DIHYDRO1H(12)DITHIOLO(34C)QUINOLINE1THIONE
CC1(C2=C(C3=C(N1C(=O)CSC4=NC5=CC=CC=C5O4)C=C(C=C3)OC)C(=S)SS2)C
InChI=1SC22H18N2O3S4c122(2)1918(20(28)313019)139812(263)1015(13)24(22)17(25)1129212314645716(14)2721h410H11H213H3
MFCD01068213
ZINC000001813882
ZINC01813882
ZINC1813882

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Available files

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