Vitas-M small molecule compound
N-{[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl}-3,4,5-triethoxybenzamide
Catalog ID
STK259338
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(cc1C(F)(F)F)Cl
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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 C21H22ClF3N2O4S MW 490.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClF3N2O4S/c1-4-29-16-9-12(10-17(30-5-2)18(16)31-6-3)19(28)27-20(32)26-15-8-7-13(22)11-14(15)21(23,24)25/h7-11H,4-6H2,1-3H3,(H2,26,27,28,32)InChIKey
FMBFVUUAGSVVTR-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(F)(F)F
InChI=1SC21H22ClF3N2O4Sc142916912(1017(3052)18(16)3163)19(28)2720(32)26158713(22)1114(15)21(2324)25h711H46H213H3(H226272832)
MFCD03270981
N((4chloro2(trifluoromethyl)phenyl)carbamothioyl)345triethoxybenzamide
ZINC000000678923
ZINC00678923
ZINC678923
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