Vitas-M small molecule compound

ethyl (4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(oxo)acetate

Catalog ID
STK045083
SMILES CCOC(=O)C(=O)N1c2ccccc2c2c(C1(C)C)ssc2=S

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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 C16H15NO3S3 MW 365.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO3S3/c1-4-20-14(19)13(18)17-10-8-6-5-7-9(10)11-12(16(17,2)3)22-23-15(11)21/h5-8H,4H2,1-3H3
InChIKey
NFRPKMWOXXHTLY-UHFFFAOYSA-N
Synonyms
4531-91-3
4531913
CCOC(=O)C(=O)N1C2=CC=CC=C2C3=C(C1(C)C)SSC3=S
CCOC(=O)C(=O)N1c2ccccc2c2c(C1(C)C)ssc2=S
ETHYL(44DIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)(OXO)ACETATE
ETHYL2(44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)2OXOACETATE
ETHYL2(44DIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL))2OXOACETATE
ethyl2(44dimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)2oxoacetate
InChI=1SC16H15NO3S3c142014(19)13(18)171086579(10)1112(16(172)3)222315(11)21h58H4H213H3
MFCD01796128
STK045083
ZINC000002269907
ZINC02269907
ZINC2269907

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Available files

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