Vitas-M small molecule compound

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

Catalog ID
STK080638
SMILES CCCC(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OCC)C(=O)OCC)/C(=S)C1(C)C)OCC

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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 C26H31NO6S3 MW 549.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO6S3/c1-7-11-18(28)27-17-13-12-15(31-8-2)14-16(17)19(22(34)26(27,5)6)25-35-20(23(29)32-9-3)21(36-25)24(30)33-10-4/h12-14H,7-11H2,1-6H3
InChIKey
IIFUIRSXYJHMKS-UHFFFAOYSA-N
Synonyms
354991-81-4
354991814
CCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C
CCCC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C)OCC
DIETHYL2(1BUTANOYL6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1BUTANOYL6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1BUTYRYL6ETHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1butyryl6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL2(1BUTANOYL6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
InChI=1SC26H31NO6S3c171118(28)2717131215(3182)1416(17)19(22(34)26(275)6)253520(23(29)3293)21(3625)24(30)33104h1214H711H216H3
MFCD01796175
STK080638
ZINC000008431811
ZINC08431811
ZINC8431811

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Available files

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