Vitas-M small molecule compound

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

Catalog ID
STK036732
SMILES CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccccc1F)NC(=O)c1ccccc1C

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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 C23H21FN2O4S MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN2O4S/c1-4-30-23(29)18-14(3)19(21(28)25-17-12-8-7-11-16(17)24)31-22(18)26-20(27)15-10-6-5-9-13(15)2/h5-12H,4H2,1-3H3,(H,25,28)(H,26,27)
InChIKey
PYZXARQLHJOCQI-UHFFFAOYSA-N
Synonyms
6044-39-9
6044399
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2F)NC(=O)C3=CC=CC=C3C
CCOC(=O)c1c(sc(c1C)C(=O)Nc1ccccc1F)NC(=O)c1ccccc1C
ETHYL5((2FLUOROANILINO)CARBONYL)4METHYL2((2METHYLBENZOYL)AMINO)3THIOPHENECARBOXYLATE
ETHYL5((2FLUOROPHENYL)CARBAMOYL)4METHYL2(((2METHYLPHENYL)CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5((2FLUOROPHENYL)CARBAMOYL)4METHYL2((2METHYLBENZENE)AMIDO)THIOPHENE3CARBOXYLATE
ETHYL5((2FLUOROPHENYL)CARBAMOYL)4METHYL2((2METHYLBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ETHYL5(N(2FLUOROPHENYL)CARBAMOYL)4METHYL2((2METHYLPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC23H21FN2O4Sc143023(29)1814(3)19(21(28)251712871116(17)24)3122(18)2620(27)151065913(15)2h512H4H213H3(H2528)(H2627)
MFCD01824271
STK036732
ZINC000000861338
ZINC00861338
ZINC861338

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Available files

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