Vitas-M small molecule compound
dimethyl 2-[2,2,6,7-tetramethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK136567
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)CC(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 C25H29NO5S3 MW 519.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5S3/c1-12(2)9-17(27)26-16-11-14(4)13(3)10-15(16)18(21(32)25(26,5)6)24-33-19(22(28)30-7)20(34-24)23(29)31-8/h10-12H,9H2,1-8H3InChIKey
FDGRZLSNGRCHHJ-UHFFFAOYSA-NSynonyms
511514-45-7511514457
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CC(C)C)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)CC(C)C)C)S1)C(=O)OC
dimethyl2(2267tetramethyl1(3methylbutanoyl)3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl1(3methylbutanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H29NO5S3c112(2)917(27)26161114(4)13(3)1015(16)18(21(32)25(265)6)243319(22(28)307)20(3424)23(29)318h1012H9H218H3
MFCD03490264
ZINC000009075536
ZINC09075536
ZINC9075536
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Check stock on Vitas-MAvailable files
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