Vitas-M small molecule compound

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

Catalog ID
STK033967
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C(C)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 C24H27NO5S3 MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5S3/c1-11(2)20(26)25-15-10-13(4)12(3)9-14(15)16(19(31)24(25,5)6)23-32-17(21(27)29-7)18(33-23)22(28)30-8/h9-11H,1-8H3
InChIKey
UCSVKRBSUJCYBZ-UHFFFAOYSA-N
Synonyms
306272-79-7
306272797
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(C)C)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C(C)C)C)S1)C(=O)OC
dimethyl2(1isobutyryl2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl1(2methylpropanoyl)3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl1(2methylpropanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC24H27NO5S3c111(2)20(26)25151013(4)12(3)914(15)16(19(31)24(255)6)233217(21(27)297)18(3323)22(28)308h911H18H3
MFCD01036903
STK033967
ZINC000008424497
ZINC08424497
ZINC8424497

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Available files

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