Vitas-M small molecule compound
diethyl 2-[2,2,7-trimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK094448
SMILES CCOC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)CC(C)C)C)/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 C26H31NO5S3 MW 533.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5S3/c1-8-31-23(29)20-21(24(30)32-9-2)35-25(34-20)19-16-11-10-15(5)13-17(16)27(18(28)12-14(3)4)26(6,7)22(19)33/h10-11,13-14H,8-9,12H2,1-7H3InChIKey
XQWRXEBTWSKOMQ-UHFFFAOYSA-NSynonyms
351224-90-3351224903
CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)CC(C)C)C)S1)C(=O)OCC
DIETHYL2(227TRIMETHYL1(3METHYLBUTANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(227TRIMETHYL1(3METHYLBUTANOYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(227TRIMETHYL1(3METHYLBUTANOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)2(227TRIMETHYL1(3METHYLBUTANOYL)3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC26H31NO5S3c183123(29)2021(24(30)3292)3525(3420)1916111015(5)1317(16)27(18(28)1214(3)4)26(67)22(19)33h10111314H8912H217H3
MFCD01796187
STK094448
ZINC000008431825
ZINC08431825
ZINC8431825
Check stock
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Check stock on Vitas-MAvailable files
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