Vitas-M small molecule compound

dimethyl 2-{2,2,6,7-tetramethyl-1-[(4-methylphenyl)sulfonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK021798
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)S(=O)(=O)c2ccc(cc2)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 C27H27NO6S4 MW 589.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6S4/c1-14-8-10-17(11-9-14)38(31,32)28-19-13-16(3)15(2)12-18(19)20(23(35)27(28,4)5)26-36-21(24(29)33-6)22(37-26)25(30)34-7/h8-13H,1-7H3
InChIKey
MGYPCDRRDUUGHK-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC(=C(C=C3C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)S(=O)(=O)c2ccc(cc2)C)C)S1)C(=O)OC
dimethyl2(2267tetramethyl1((4methylphenyl)sulfonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl1(4methylphenyl)sulfonyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl3thioxo1tosyl23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H27NO6S4c11481017(11914)38(3132)28191316(3)15(2)1218(19)20(23(35)27(284)5)263621(24(29)336)22(3726)25(30)347h813H17H3
MFCD01957512
STK021798
ZINC000008432142
ZINC08432142
ZINC8432142

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Available files

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