Vitas-M small molecule compound
ethyl 4-[(2-cyanophenyl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
Catalog ID
STK773161
SMILES CCOC(=O)C1C(=O)C=C(CC1c1cccc(c1)OC)Nc1ccccc1C#N
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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 C23H22N2O4 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4/c1-3-29-23(27)22-19(15-8-6-9-18(11-15)28-2)12-17(13-21(22)26)25-20-10-5-4-7-16(20)14-24/h4-11,13,19,22,25H,3,12H2,1-2H3InChIKey
ODOVRRLXVHBQDS-UHFFFAOYSA-NSynonyms
5814-61-95814619
CCOC(=O)C1C(CC(=CC1=O)NC2=CC=CC=C2C#N)C3=CC(=CC=C3)OC
ETHYL(1S6R)4((2CYANOPHENYL)AMINO)6(3METHOXYPHENYL)2OXOCYCLOHEX3ENE1CARBOXYLATE
ethyl4((2cyanophenyl)amino)6(3methoxyphenyl)2oxocyclohex3ene1carboxylate
ETHYL4(2CYANOANILINO)6(3METHOXYPHENYL)2OXOCYCLOHEX3ENE1CARBOXYLATE
InChI=1SC23H22N2O4c132923(27)2219(1586918(1115)282)1217(1321(22)26)25201054716(20)1424h41113192225H312H212H3
MFCD03821353
ZINC000001080028
ZINC000001080031
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