Vitas-M small molecule compound
dimethyl 2-[2,2,6,8-tetramethyl-1-(pyridin-3-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK136495
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)cc(c3N(C(C2=S)(C)C)C(=O)c2cccnc2)C)/S1)C(=O)OC
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H24N2O5S3 MW 540.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O5S3/c1-13-10-14(2)18-16(11-13)17(25-35-19(23(30)32-5)20(36-25)24(31)33-6)21(34)26(3,4)28(18)22(29)15-8-7-9-27-12-15/h7-12H,1-6H3InChIKey
MKPMXXFGBVKWPF-UHFFFAOYSA-NSynonyms
CC1=CC(=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CN=CC=C4)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)cc(c3N(C(C2=S)(C)C)C(=O)c2cccnc2)C)S1)C(=O)OC
dimethyl2(2268tetramethyl1(pyridin3ylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(2268tetramethyl1(pyridine3carbonyl)3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
InChI=1SC26H24N2O5S3c1131014(2)1816(1113)17(253519(23(30)325)20(3625)24(31)336)21(34)26(34)28(18)22(29)15879271215h712H16H3
MFCD03488030
ZINC000100915623
ZINC100915623
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