Vitas-M small molecule compound

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

Catalog ID
STK000401
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)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 C23H25NO5S3 MW 491.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5S3/c1-11(2)19(25)24-14-9-8-12(3)10-13(14)15(18(30)23(24,4)5)22-31-16(20(26)28-6)17(32-22)21(27)29-7/h8-11H,1-7H3
InChIKey
JXKAKNTVLFDBSL-UHFFFAOYSA-N
Synonyms
306326-17-0
306326170
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C(C)C
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(C)C)S1)C(=O)OC
dimethyl2(1isobutyryl226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(226TRIMETHYL1(2METHYLPROPANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(226TRIMETHYL1(2METHYLPROPANOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC23H25NO5S3c111(2)19(25)24149812(3)1013(14)15(18(30)23(244)5)223116(20(26)286)17(3222)21(27)297h811H17H3
MFCD00658037
STK000401
ZINC000008915910
ZINC08915910
ZINC8915910

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Available files

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