Vitas-M small molecule compound

dimethyl 2-(2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK086274
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3NC(C2=S)(C)C)C)/S1)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 C20H21NO4S3 MW 435.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4S3/c1-9-7-11-12(8-10(9)2)21-20(3,4)16(26)13(11)19-27-14(17(22)24-5)15(28-19)18(23)25-6/h7-8,21H,1-6H3
InChIKey
CLEMIBUGLHUXLH-UHFFFAOYSA-N
Synonyms
330179-47-0
330179470
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3NC(C2=S)(C)C)C)S1)C(=O)OC
dimethyl2(2267tetramethyl3sulfanylidene1Hquinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC20H21NO4S3c1971112(810(9)2)2120(34)16(26)13(11)192714(17(22)245)15(2819)18(23)256h7821H16H3
MFCD01138051
STK086274
ZINC000008425623
ZINC08425623
ZINC8425623

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Available files

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