Vitas-M small molecule compound
2,2'-{benzene-1,4-diylbis[(2,5-dioxopyrrolidine-1,3-diyl)sulfanediyl]}bis[6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile]
Catalog ID
STK676022
SMILES N#Cc1c(SC2CC(=O)N(C2=O)c2ccc(cc2)N2C(=O)CC(C2=O)Sc2nc(cc(c2C#N)C(F)(F)F)c2ccccc2)nc(cc1C(F)(F)F)c1ccccc1
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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 C40H22F6N6O4S2 MW 828.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H22F6N6O4S2/c41-39(42,43)27-15-29(21-7-3-1-4-8-21)49-35(25(27)19-47)57-31-17-33(53)51(37(31)55)23-11-13-24(14-12-23)52-34(54)18-32(38(52)56)58-36-26(20-48)28(40(44,45)46)16-30(50-36)22-9-5-2-6-10-22/h1-16,31-32H,17-18H2InChIKey
INMULCJOFCFBLK-UHFFFAOYSA-NSynonyms
2(1(4(3(3CYANO6PHENYL4(TRIFLUOROMETHYL)(2PYRIDYLTHIO))25DIOXOAZOLIDINYL)PHENYL)25DIOXOAZOLIDIN3YLTHIO)6PHENYL4(TRIFLUOROMETHYL)PYRIDINE3CARBONITRILE
2(1(4(3(3CYANO6PHENYL4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYL25DIOXOPYRROLIDIN1YL)PHENYL)25DIOXOPYRROLIDIN3YL)SULFANYL6PHENYL4(TRIFLUOROMETHYL)PYRIDINE3CARBONITRILE
22(benzene14diylbis((25dioxopyrrolidine13diyl)sulfanediyl))bis(6phenyl4(trifluoromethyl)pyridine3carbonitrile)
C1C(C(=O)N(C1=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C(=CC(=N4)C5=CC=CC=C5)C(F)(F)F)C#N)SC6=C(C(=CC(=N6)C7=CC=CC=C7)C(F)(F)F)C#N
InChI=1SC40H22F6N6O4S2c4139(4243)271529(217314821)4935(25(27)1947)57311733(53)51(37(31)55)23111324(141223)5234(54)1832(38(52)56)583626(2048)28(40(4445)46)1630(5036)2295261022h1163132H1718H2
MFCD01926070
ZINC000008426179
ZINC000150367816
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