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-phenylethanone

Catalog ID
STK065899
SMILES CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)Cc1ccccc1)(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 C22H21NO2S3 MW 427.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO2S3/c1-4-25-15-10-11-17-16(13-15)19-20(27-28-21(19)26)22(2,3)23(17)18(24)12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3
InChIKey
AHTDKLKASMYTBD-UHFFFAOYSA-N
Synonyms
296272-30-5
1(8ETHOXY44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)2PHENYLETHANONE
1(8ETHOXY44DIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL))2PHENYLETHAN1ONE
1(8ETHOXY44DIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)2PHENYLETHANONE
1(8ethoxy44dimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)2phenylethanone
296272305
CCOC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CC4=CC=CC=C4
CCOc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)Cc1ccccc1)(C)C
InChI=1SC22H21NO2S3c14251510111716(1315)1920(272821(19)26)22(23)23(17)18(24)12148657914h51113H412H213H3
MFCD00521221
STK065899
ZINC000002259098
ZINC02259098
ZINC2259098

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Available files

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