Vitas-M small molecule compound
dimethyl 2-[2,2,6,7-tetramethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789289
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)c(c3)C)C(=O)c2ccccc2)/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 C27H25NO5S3 MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5S3/c1-14-12-17-18(13-15(14)2)28(23(29)16-10-8-7-9-11-16)27(3,4)22(34)19(17)26-35-20(24(30)32-5)21(36-26)25(31)33-6/h7-13H,1-6H3InChIKey
VNGHHFSZPGBHTI-UHFFFAOYSA-NSynonyms
328069-86-9328069869
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC=C4)(C)C)C
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2cc(C)c(c3)C)C(=O)c2ccccc2)S1)C(=O)OC
dimethyl2(1benzoyl2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1benzoyl2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl1(phenylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H25NO5S3c114121718(1315(14)2)28(23(29)16108791116)27(34)22(34)19(17)263520(24(30)325)21(3626)25(31)336h713H16H3
MFCD01036913
ZINC000008435329
ZINC08435329
ZINC8435329
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