Vitas-M small molecule compound

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

Catalog ID
STK789395
SMILES CCCCCC(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OCC)C(=O)OCC)/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 C27H33NO6S3 MW 563.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO6S3/c1-7-10-11-12-19(29)28-18-14-13-16(32-6)15-17(18)20(23(35)27(28,4)5)26-36-21(24(30)33-8-2)22(37-26)25(31)34-9-3/h13-15H,7-12H2,1-6H3
InChIKey
BCIQLYUNQTUFSV-UHFFFAOYSA-N
Synonyms

CCCCCC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C
CCCCCC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C)OC
DIETHYL2(1HEXANOYL6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1HEXANOYL6METHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1hexanoyl6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL5(ETHOXYCARBONYL)2(1HEXANOYL6METHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC27H33NO6S3c1710111219(29)2818141316(326)1517(18)20(23(35)27(284)5)263621(24(30)3382)22(3726)25(31)3493h1315H712H216H3
MFCD01156150
ZINC000006471739
ZINC06471739
ZINC6471739

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Available files

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