Vitas-M small molecule compound

ethyl 4-[(2-fluorophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate

Catalog ID
STK774113
SMILES CCOC(=O)C1C(=O)C=C(CC1c1cccc(c1)OC)Nc1ccccc1F

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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 C22H22FNO4 MW 383.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FNO4/c1-3-28-22(26)21-17(14-7-6-8-16(11-14)27-2)12-15(13-20(21)25)24-19-10-5-4-9-18(19)23/h4-11,13,17,21,24H,3,12H2,1-2H3
InChIKey
PQSYMEZHCDDXSL-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(CC(=CC1=O)NC2=CC=CC=C2F)C3=CC(=CC=C3)OC
ETHYL(1R6S)4((2FLUOROPHENYL)AMINO)6(3METHOXYPHENYL)2OXOCYCLOHEX3ENE1CARBOXYLATE
ETHYL(1S6R)4((2FLUOROPHENYL)AMINO)6(3METHOXYPHENYL)2OXOCYCLOHEX3ENE1CARBOXYLATE
ETHYL(1S6S)4((2FLUOROPHENYL)AMINO)6(3METHOXYPHENYL)2OXOCYCLOHEX3ENE1CARBOXYLATE
ethyl4((2fluorophenyl)amino)6(3methoxyphenyl)2oxocyclohex3ene1carboxylate
ETHYL4(2FLUOROANILINO)6(3METHOXYPHENYL)2OXOCYCLOHEX3ENE1CARBOXYLATE
InChI=1SC22H22FNO4c132822(26)2117(1476816(1114)272)1215(1320(21)25)24191054918(19)23h41113172124H312H212H3
MFCD03856131
ZINC000001440877
ZINC000001440880
ZINC01440877
ZINC01440880

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Available files

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