Vitas-M small molecule compound

dimethyl 2-[2,2,6,8-tetramethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789403
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)cc(c3N(C(C2=S)(C)C)C(=O)c2ccccc2)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 C27H25NO5S3 MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5S3/c1-14-12-15(2)19-17(13-14)18(26-35-20(24(30)32-5)21(36-26)25(31)33-6)22(34)27(3,4)28(19)23(29)16-10-8-7-9-11-16/h7-13H,1-6H3
InChIKey
QHJMVDFUCITNJK-UHFFFAOYSA-N
Synonyms
331640-39-2
331640392
CC1=CC(=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC=C4)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)cc(c3N(C(C2=S)(C)C)C(=O)c2ccccc2)C)S1)C(=O)OC
dimethyl2(1benzoyl2268tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1benzoyl2268tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(2268tetramethyl1(phenylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H25NO5S3c1141215(2)1917(1314)18(263520(24(30)325)21(3626)25(31)336)22(34)27(34)28(19)23(29)16108791116h713H16H3
MFCD01156182
ZINC000008425732
ZINC08425732
ZINC8425732

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Available files

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