Vitas-M small molecule compound
dimethyl 2-{1-[(4-fluorophenyl)acetyl]-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789316
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)c(c3)C)C(=O)Cc2ccc(cc2)F)/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 C28H26FNO5S3 MW 571.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26FNO5S3/c1-14-11-18-19(12-15(14)2)30(20(31)13-16-7-9-17(29)10-8-16)28(3,4)24(36)21(18)27-37-22(25(32)34-5)23(38-27)26(33)35-6/h7-12H,13H2,1-6H3InChIKey
RNWXNXKYTZHIEY-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CC4=CC=C(C=C4)F)(C)C)C
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2cc(C)c(c3)C)C(=O)Cc2ccc(cc2)F)S1)C(=O)OC
dimethyl2(1((4fluorophenyl)acetyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(4fluorophenyl)acetyl)2267tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(4fluorophenyl)acetyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H26FNO5S3c114111819(1215(14)2)30(20(31)13167917(29)10816)28(34)24(36)21(18)273722(25(32)345)23(3827)26(33)356h712H13H216H3
MFCD01068071
ZINC000097944145
ZINC97944145
Check stock
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Check stock on Vitas-MAvailable files
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