Vitas-M small molecule compound
dimethyl 2-[1-(2-ethylbutanoyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK003112
SMILES CCC(C(=O)N1c2cc(C)c(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C)C)CC
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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 C26H31NO5S3 MW 533.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5S3/c1-9-15(10-2)22(28)27-17-12-14(4)13(3)11-16(17)18(21(33)26(27,5)6)25-34-19(23(29)31-7)20(35-25)24(30)32-8/h11-12,15H,9-10H2,1-8H3InChIKey
GJDHCDFGSODCKG-UHFFFAOYSA-NSynonyms
CCC(C(=O)N1c2cc(C)c(cc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)C)CC
CCC(CC)C(=O)N1C2=CC(=C(C=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C)C)C
dimethyl2(1(2ethylbutanoyl)2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2ethylbutanoyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H31NO5S3c1915(102)22(28)27171214(4)13(3)1116(17)18(21(33)26(275)6)253419(23(29)317)20(3525)24(30)328h111215H910H218H3
MFCD02238753
STK003112
ZINC000100114753
ZINC100114753
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