Vitas-M small molecule compound
dimethyl 2-{6-ethoxy-2,2-dimethyl-1-[(4-methylphenyl)sulfonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK063512
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2S(=O)(=O)c1ccc(cc1)C)(C)C
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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 C27H27NO7S4 MW 605.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO7S4/c1-7-35-16-10-13-19-18(14-16)20(26-37-21(24(29)33-5)22(38-26)25(30)34-6)23(36)27(3,4)28(19)39(31,32)17-11-8-15(2)9-12-17/h8-14H,7H2,1-6H3InChIKey
QGTUIZCNAQZWGL-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)S(=O)(=O)C4=CC=C(C=C4)C
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2S(=O)(=O)c1ccc(cc1)C)(C)C
DIMETHYL2(6ETHOXY22DIMETHYL1((4METHYLPHENYL)SULFONYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6ETHOXY22DIMETHYL1(4METHYLPHENYL)SULFONYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6ethoxy22dimethyl3thioxo1tosyl23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H27NO7S4c17351610131918(1416)20(263721(24(29)335)22(3826)25(30)346)23(36)27(34)28(19)39(3132)1711815(2)91217h814H7H216H3
METHYL2(6ETHOXY22DIMETHYL1((4METHYLPHENYL)SULFONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01949233
STK063512
ZINC000006631054
ZINC6631054
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