Vitas-M small molecule compound
diethyl 2-{6-[{4-[4,5-bis(ethoxycarbonyl)-1,3-dithiol-2-ylidene]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-7(1H)-yl}(phenyl)methyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK008613
SMILES CCOC(=O)C1=C(S/C(=C\2/c3ccc(cc3NC(C2=S)(C)C)C(c2ccc3c(c2)/C(=C\2/SC(=C(S2)C(=O)OCC)C(=O)OCC)/C(=S)C(N3)(C)C)c2ccccc2)/S1)C(=O)OCC
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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 C47H46N2O8S6 MW 959.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H46N2O8S6/c1-9-54-40(50)34-35(41(51)55-10-2)61-44(60-34)32-27-20-18-26(23-30(27)49-47(7,8)38(32)58)31(24-16-14-13-15-17-24)25-19-21-29-28(22-25)33(39(59)46(5,6)48-29)45-62-36(42(52)56-11-3)37(63-45)43(53)57-12-4/h13-23,31,48-49H,9-12H2,1-8H3InChIKey
WLIJQAKBYZUHHY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C(C4=CC=CC=C4)C5=CC6=C(C=C5)NC(C(=S)C6=C7SC(=C(S7)C(=O)OCC)C(=O)OCC)(C)C)NC(C2=S)(C)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccc(cc3NC(C2=S)(C)C)C(c2ccc3c(c2)C(=C2SC(=C(S2)C(=O)OCC)C(=O)OCC)C(=S)C(N3)(C)C)c2ccccc2)S1)C(=O)OCC
DIETHYL2(6((4(45BIS(ETHOXYCARBONYL)13DITHIOL2YLIDENE)22DIMETHYL3THIOXO23DIHYDROQUINOLIN7(1H)YL)(PHENYL)METHYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOL
DIETHYL2(7((4(45BIS(ETHOXYCARBONYL)13DITHIOL2YLIDENE)22DIMETHYL3SULFANYLIDENE1HQUINOLIN6YL)PHENYLMETHYL)22DIMETHYL3SULFANYLIDENE1HQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(7((4(45bis(ethoxycarbonyl)13dithiol2ylidene)22dimethyl3thioxo1234tetrahydroquinolin6yl)(phenyl)methyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
E45DICARBOXYLATE
ETHYL2(7((4(45BIS(ETHOXYCARBONYL)(13DITHIOLEN2YLIDENE))22DIMETHYL3THIOXO(612DIHYDROQUINOLYL))PHENYLMETHYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13
InChI=1SC47H46N2O8S6c195440(50)3435(41(51)55102)6144(6034)3227201826(2330(27)4947(78)38(32)58)31(24161413151724)2519212928(2225)33(39(59)46(56)4829)456236(42(52)56113)37(6345)43(53)57124h1323314849H912H218H3
MFCD01947193
STK008613
ZINC000150420184
ZINC000150420190
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