Vitas-M small molecule compound

ethyl (8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(oxo)acetate

Catalog ID
STK074082
SMILES CCOC(=O)C(=O)N1c2ccc(cc2c2c(C1(C)C)ssc2=S)OC

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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 C17H17NO4S3 MW 395.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4S3/c1-5-22-15(20)14(19)18-11-7-6-9(21-4)8-10(11)12-13(17(18,2)3)24-25-16(12)23/h6-8H,5H2,1-4H3
InChIKey
MBAIJEGYSUBFHC-UHFFFAOYSA-N
Synonyms
351224-71-0
351224710
CCOC(=O)C(=O)N1C2=C(C=C(C=C2)OC)C3=C(C1(C)C)SSC3=S
CCOC(=O)C(=O)N1c2ccc(cc2c2c(C1(C)C)ssc2=S)OC
ETHYL(8METHOXY44DIMETHYL1THIOXO14DIHYDRO5H(12)DITHIOLO(34C)QUINOLIN5YL)(OXO)ACETATE
ETHYL2(8METHOXY44DIMETHYL1SULFANYLIDENEDITHIOLO(34C)QUINOLIN5YL)2OXOACETATE
ETHYL2(8METHOXY44DIMETHYL1THIOXO(45DIHYDRO12DITHIOLENO(54C)QUINOLIN5YL))2OXOACETATE
ethyl2(8methoxy44dimethyl1thioxo1H(12)dithiolo(34c)quinolin5(4H)yl)2oxoacetate
InChI=1SC17H17NO4S3c152215(20)14(19)1811769(214)810(11)1213(17(182)3)242516(12)23h68H5H214H3
MFCD01796126
STK074082
ZINC000002268405
ZINC02268405
ZINC2268405

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Available files

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