Vitas-M small molecule compound
N-(2,2,2-trichloro-1-{4-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}ethyl)benzamide
Catalog ID
STK821997
SMILES CCN1C(=S)S/C(=C\c2ccc(cc2)OC(C(Cl)(Cl)Cl)NC(=O)c2ccccc2)/C1=O
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H17Cl3N2O3S2 MW 515.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl3N2O3S2/c1-2-26-18(28)16(31-20(26)30)12-13-8-10-15(11-9-13)29-19(21(22,23)24)25-17(27)14-6-4-3-5-7-14/h3-12,19H,2H2,1H3,(H,25,27)/b16-12-InChIKey
GYBCJMZOHXCUGJ-VBKFSLOCSA-NSynonyms
CCN1C(=O)C(=CC2=CC=C(C=C2)OC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC=C3)SC1=S
CCN1C(=S)SC(=Cc2ccc(cc2)OC(C(Cl)(Cl)Cl)NC(=O)c2ccccc2)C1=O
InChI=1SC21H17Cl3N2O3S2c122618(28)16(3120(26)30)121381015(11913)2919(21(2223)24)2517(27)146435714h31219H2H21H3(H2527)b1612
MFCD03463171
N(222trichloro1(4((Z)(3ethyl4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)ethyl)benzamide
N(222trichloro1(4((Z)(3ethyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)ethyl)benzamide
ZINC000026967257
ZINC000026967263
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