Vitas-M small molecule compound

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

Catalog ID
STK078002
SMILES CCCCC(=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 C27H33NO6S3 MW 563.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO6S3/c1-7-11-12-19(29)28-18-14-13-16(32-8-2)15-17(18)20(23(35)27(28,5)6)26-36-21(24(30)33-9-3)22(37-26)25(31)34-10-4/h13-15H,7-12H2,1-6H3
InChIKey
GCRSOAUWGYVXJI-UHFFFAOYSA-N
Synonyms
5848-17-9
5848179
CCCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C
CCCCC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C)OCC
DIETHYL2(6ETHOXY22DIMETHYL1PENTANOYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(6ETHOXY22DIMETHYL1PENTANOYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(6ETHOXY22DIMETHYL1PENTANOYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL2(6ETHOXY22DIMETHYL1PENTANOYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
InChI=1SC27H33NO6S3c17111219(29)2818141316(3282)1517(18)20(23(35)27(285)6)263621(24(30)3393)22(3726)25(31)34104h1315H712H216H3
MFCD01796176
STK078002
ZINC000008431812
ZINC08431812
ZINC8431812

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Available files

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