Vitas-M small molecule compound

2,2'-{benzene-1,3-diylbis[(2,5-dioxopyrrolidine-1,3-diyl)sulfanediyl]}bis[6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile]

Catalog ID
STK676428
SMILES N#Cc1c(SC2CC(=O)N(C2=O)c2cccc(c2)N2C(=O)CC(C2=O)Sc2nc(cc(c2C#N)C(F)(F)F)c2cccs2)nc(cc1C(F)(F)F)c1cccs1

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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 C36H18F6N6O4S4 MW 840.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H18F6N6O4S4/c37-35(38,39)21-11-23(25-6-2-8-53-25)45-31(19(21)15-43)55-27-13-29(49)47(33(27)51)17-4-1-5-18(10-17)48-30(50)14-28(34(48)52)56-32-20(16-44)22(36(40,41)42)12-24(46-32)26-7-3-9-54-26/h1-12,27-28H,13-14H2
InChIKey
OTUJGBMKONUWEU-UHFFFAOYSA-N
Synonyms

2((1(3(3((3CYANO6(2THIENYL)4(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)25DIOXO1PYRROLIDINYL)PHENYL)25DIOXO3PYRROLIDINYL)SULFANYL)6(2THIENYL)4(TRIFLUOROMETHYL)NICOTINONITRILE
2(1(3(3(3CYANO6(2THIENYL)4(TRIFLUOROMETHYL)(2PYRIDYLTHIO))25DIOXOAZOLIDINYL)PHENYL)25DIOXOAZOLIDIN3YLTHIO)6(2THIENYL)4(TRIFLUOROMETHYL)PYRIDINE3CARBONITRILE
2(1(3(3(3CYANO6THIOPHEN2YL4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYL25DIOXOPYRROLIDIN1YL)PHENYL)25DIOXOPYRROLIDIN3YL)SULFANYL6THIOPHEN2YL4(TRIFLUOROMETHYL)PYRIDINE3CARBONITRILE
22(benzene13diylbis((25dioxopyrrolidine13diyl)sulfanediyl))bis(6(thiophen2yl)4(trifluoromethyl)pyridine3carbonitrile)
C1C(C(=O)N(C1=O)C2=CC(=CC=C2)N3C(=O)CC(C3=O)SC4=C(C(=CC(=N4)C5=CC=CS5)C(F)(F)F)C#N)SC6=C(C(=CC(=N6)C7=CC=CS7)C(F)(F)F)C#N
InChI=1SC36H18F6N6O4S4c3735(3839)211123(256285325)4531(19(21)1543)55271329(49)47(33(27)51)1741518(1017)4830(50)1428(34(48)52)563220(1644)22(36(4041)42)1224(4632)267395426h1122728H1314H2
MFCD01872402
ZINC000008426197
ZINC000150369465

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Available files

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