Vitas-M small molecule compound
dimethyl 2-[2,2,6,8-tetramethyl-1-(2-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK871364
SMILES CCC(C(=O)N1c2c(C)cc(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C)C)C
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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 C25H29NO5S3 MW 519.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5S3/c1-9-13(3)21(27)26-17-14(4)10-12(2)11-15(17)16(20(32)25(26,5)6)24-33-18(22(28)30-7)19(34-24)23(29)31-8/h10-11,13H,9H2,1-8H3InChIKey
XUPXWWRLLLFXDM-UHFFFAOYSA-NSynonyms
CCC(C(=O)N1c2c(C)cc(cc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)C)C
CCC(C)C(=O)N1C2=C(C=C(C=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C)C)C
dimethyl2(2268tetramethyl1(2methylbutanoyl)3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(2268tetramethyl1(2methylbutanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H29NO5S3c1913(3)21(27)261714(4)1012(2)1115(17)16(20(32)25(265)6)243318(22(28)307)19(3424)23(29)318h101113H9H218H3
MFCD02239074
ZINC000008838017
ZINC000008838018
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