Vitas-M small molecule compound

dimethyl 2-(8-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK026000
SMILES CCOc1cccc2c1NC(C)(C)C(=S)/C/2=C/1\SC(=C(S1)C(=O)OC)C(=O)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 C20H21NO5S3 MW 451.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5S3/c1-6-26-11-9-7-8-10-12(16(27)20(2,3)21-13(10)11)19-28-14(17(22)24-4)15(29-19)18(23)25-5/h7-9,21H,6H2,1-5H3
InChIKey
PGFLREIHZJKHJC-UHFFFAOYSA-N
Synonyms
316361-18-9
316361189
CCOC1=CC=CC2=C1NC(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C
CCOc1cccc2c1NC(C)(C)C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC
DIMETHYL2(8ETHOXY22DIMETHYL3SULFANYLIDENE1HQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(8ETHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(8ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC20H21NO5S3c1626119781012(16(27)20(23)2113(10)11)192814(17(22)244)15(2919)18(23)255h7921H6H215H3
METHYL2(8ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00809940
STK026000
ZINC000008397481
ZINC08397481
ZINC8397481

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Available files

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