Vitas-M small molecule compound
ethyl 6-(3-methoxyphenyl)-4-[(2-methyl-5-nitrophenyl)amino]-2-oxocyclohex-3-ene-1-carboxylate
Catalog ID
STK773144
SMILES CCOC(=O)C1C(=O)C=C(CC1c1cccc(c1)OC)Nc1cc(ccc1C)[N+](=O)[O-]
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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 C23H24N2O6 MW 424.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O6/c1-4-31-23(27)22-19(15-6-5-7-18(10-15)30-3)11-16(12-21(22)26)24-20-13-17(25(28)29)9-8-14(20)2/h5-10,12-13,19,22,24H,4,11H2,1-3H3InChIKey
DTIYAOZTKPREMZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(=O)C=C(CC1c1cccc(c1)OC)Nc1cc(ccc1C)(N+)(=O)(O)
CCOC(=O)C1C(CC(=CC1=O)NC2=C(C=CC(=C2)(N+)(=O)(O))C)C3=CC(=CC=C3)OC
ethyl6(3methoxyphenyl)4((2methyl5nitrophenyl)amino)2oxocyclohex3ene1carboxylate
ETHYL6(3METHOXYPHENYL)4(2METHYL5NITROANILINO)2OXOCYCLOHEX3ENE1CARBOXYLATE
InChI=1SC23H24N2O6c143123(27)2219(1565718(1015)303)1116(1221(22)26)24201317(25(28)29)9814(20)2h5101213192224H411H213H3
MFCD03821335
ZINC000001079967
ZINC000001079970
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