Vitas-M small molecule compound

ethyl 2-{[(4-fluorophenyl)carbonyl]amino}-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

Catalog ID
STK070871
SMILES CCOC(=O)c1c(NC(=O)c2ccc(cc2)F)sc(c1C)C(=O)Nc1cccc(c1)OC

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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 C23H21FN2O5S MW 456.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN2O5S/c1-4-31-23(29)18-13(2)19(21(28)25-16-6-5-7-17(12-16)30-3)32-22(18)26-20(27)14-8-10-15(24)11-9-14/h5-12H,4H2,1-3H3,(H,25,28)(H,26,27)
InChIKey
LXKQNLFUZMNROG-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC(=CC=C2)OC)NC(=O)C3=CC=C(C=C3)F
CCOC(=O)c1c(NC(=O)c2ccc(cc2)F)sc(c1C)C(=O)Nc1cccc(c1)OC
ETHYL2(((4FLUOROPHENYL)CARBONYL)AMINO)5((3METHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((4FLUOROBENZOYL)AMINO)5((3METHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL2((4FLUOROPHENYL)CARBONYLAMINO)5(N(3METHOXYPHENYL)CARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H21FN2O5Sc143123(29)1813(2)19(21(28)251665717(1216)303)3222(18)2620(27)1481015(24)11914h512H4H213H3(H2528)(H2627)
MFCD01151589
STK070871
ZINC000000831563
ZINC00831563
ZINC831563

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Available files

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