Vitas-M small molecule compound

ethyl 2-{[(2-fluorophenyl)carbonyl]amino}-4-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}thiophene-3-carboxylate

Catalog ID
STK091182
SMILES CCOC(=O)c1c(sc(c1C)C(=O)Nc1cccc(c1)C(F)(F)F)NC(=O)c1ccccc1F

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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 C23H18F4N2O4S MW 494.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18F4N2O4S/c1-3-33-22(32)17-12(2)18(20(31)28-14-8-6-7-13(11-14)23(25,26)27)34-21(17)29-19(30)15-9-4-5-10-16(15)24/h4-11H,3H2,1-2H3,(H,28,31)(H,29,30)
InChIKey
BGEMBHOAPKDZFD-UHFFFAOYSA-N
Synonyms
312597-67-4
312597674
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=CC=CC=C3F
CCOC(=O)c1c(sc(c1C)C(=O)Nc1cccc(c1)C(F)(F)F)NC(=O)c1ccccc1F
ETHYL2(((2FLUOROPHENYL)CARBONYL)AMINO)4METHYL5((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATE
ETHYL2((2FLUOROBENZENE)AMIDO)4METHYL5((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATE
ETHYL2((2FLUOROBENZOYL)AMINO)4METHYL5((3(TRIFLUOROMETHYL)ANILINO)CARBONYL)3THIOPHENECARBOXYLATE
ETHYL2((2FLUOROBENZOYL)AMINO)4METHYL5((3(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)THIOPHENE3CARBOXYLATE
InChI=1SC23H18F4N2O4Sc133322(32)1712(2)18(20(31)281486713(1114)23(2526)27)3421(17)2919(30)159451016(15)24h411H3H212H3(H2831)(H2930)
MFCD01655304
STK091182
ZINC000002750048
ZINC02750048
ZINC2750048

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.