Vitas-M small molecule compound

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

Catalog ID
STK080688
SMILES COC(=O)C1=C(S/C(=C\2/c3ccc(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 C23H25NO5S3 MW 491.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5S3/c1-11(2)19(25)24-14-10-12(3)8-9-13(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
UGZCPJOSPGKPOP-UHFFFAOYSA-N
Synonyms
350994-63-7
350994637
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(C)C)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)C(C)C)C)S1)C(=O)OC
dimethyl2(1isobutyryl227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(227TRIMETHYL1(2METHYLPROPANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(227TRIMETHYL1(2METHYLPROPANOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC23H25NO5S3c111(2)19(25)24141012(3)8913(14)15(18(30)23(244)5)223116(20(26)286)17(3222)21(27)297h811H17H3
MFCD01332133
STK080688
ZINC000008817003
ZINC08817003
ZINC8817003

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Available files

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