Vitas-M small molecule compound

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

Catalog ID
STK050578
SMILES Cc1ccc2c(c1)N(C(=O)c1cccc(c1)C)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 C21H19NOS3 MW 397.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NOS3/c1-12-6-5-7-14(10-12)19(23)22-16-11-13(2)8-9-15(16)17-18(21(22,3)4)25-26-20(17)24/h5-11H,1-4H3
InChIKey
BGKHVFZIGLZXOX-UHFFFAOYSA-N
Synonyms
330561-02-9
(3METHYLPHENYL)(447TRIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)METHANONE
(3METHYLPHENYL)(447TRIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)METHANONE
330561029
3METHYLPHENYL447TRIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL)KETONE
447TRIMETHYL5(3METHYLBENZOYL)45DIHYDRO1H(12)DITHIOLO(34C)QUINOLINE1THIONE
CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C4=CC(=CC=C4)C)(C)C)SSC3=S
Cc1ccc2c(c1)N(C(=O)c1cccc(c1)C)C(c1c2c(=S)ss1)(C)C
InChI=1SC21H19NOS3c11265714(1012)19(23)22161113(2)8915(16)1718(21(223)4)252620(17)24h511H14H3
MFCD00643369
mtolyl(447trimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)methanone
STK050578
ZINC000002052828
ZINC02052828
ZINC2052828

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Available files

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