Vitas-M small molecule compound

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

Catalog ID
STK001463
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(CC)ccc3NC(C2=S)(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/c1-6-10-7-8-12-11(9-10)13(16(26)20(2,3)21-12)19-27-14(17(22)24-4)15(28-19)18(23)25-5/h7-9,21H,6H2,1-5H3
InChIKey
CBDGHEAVSQDUPP-UHFFFAOYSA-N
Synonyms
377062-67-4
377062674
CCC1=CC2=C(C=C1)NC(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C
COC(=O)C1=C(SC(=C2c3cc(CC)ccc3NC(C2=S)(C)C)S1)C(=O)OC
DIMETHYL2(6ETHYL22DIMETHYL3SULFANYLIDENE1HQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6ETHYL22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC20H21NO4S3c1610781211(910)13(16(26)20(23)2112)192714(17(22)244)15(2819)18(23)255h7921H6H215H3
METHYL2(6ETHYL22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD02816966
STK001463
ZINC000008817265
ZINC08817265
ZINC8817265

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Available files

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