Vitas-M small molecule compound

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

Catalog ID
STK038110
SMILES Cc1ccc2c(c1)N(C(=O)CSc1nc3c(s1)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 C22H18N2OS5 MW 486.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2OS5/c1-12-8-9-13-15(10-12)24(22(2,3)19-18(13)20(26)30-29-19)17(25)11-27-21-23-14-6-4-5-7-16(14)28-21/h4-10H,11H2,1-3H3
InChIKey
CBOPVJSEEPCLAL-UHFFFAOYSA-N
Synonyms
331944-59-3
2(13BENZOTHIAZOL2YLSULFANYL)1(447TRIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)ETHANONE
2(13BENZOTHIAZOL2YLSULFANYL)1(447TRIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)ETHANONE
2(benzo(d)thiazol2ylthio)1(447trimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)ethanone
2BENZOTHIAZOL2YLTHIO1(447TRIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL))ETHAN1ONE
331944593
CC1=CC2=C(C=C1)C3=C(C(N2C(=O)CSC4=NC5=CC=CC=C5S4)(C)C)SSC3=S
Cc1ccc2c(c1)N(C(=O)CSc1nc3c(s1)cccc3)C(c1c2c(=S)ss1)(C)C
InChI=1SC22H18N2OS5c112891315(1012)24(22(23)1918(13)20(26)302919)17(25)1127212314645716(14)2821h410H11H213H3
MFCD01068215
STK038110
ZINC000002240056
ZINC02240056
ZINC2240056

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Available files

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