Vitas-M small molecule compound
dimethyl 2-{1-[(2E)-but-2-enoyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK048326
SMILES C/C=C/C(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C)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 C23H23NO6S3 MW 505.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO6S3/c1-7-8-15(25)24-14-10-9-12(28-4)11-13(14)16(19(31)23(24,2)3)22-32-17(20(26)29-5)18(33-22)21(27)30-6/h7-11H,1-6H3/b8-7+InChIKey
VHYIRJKTAOFMQU-BQYQJAHWSA-NSynonyms
336175-37-2(E)dimethyl2(1(but2enoyl)6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
336175372
CC=CC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
CC=CC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)OC
DIMETHYL2(1((2E)BUT2ENOYL)6METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((E)BUT2ENOYL)6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC23H23NO6S3c17815(25)241410912(284)1113(14)16(19(31)23(242)3)223217(20(26)295)18(3322)21(27)306h711H16H3b87+
METHYL2(1((2E)BUT2ENOYL)6METHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01565248
STK048326
ZINC000006014674
ZINC06014674
ZINC6014674
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