Vitas-M small molecule compound
methyl 3-butanoyl-6,6-dimethyl-4-[(3-nitrophenyl)amino]-2-oxocyclohex-3-ene-1-carboxylate
Catalog ID
STK805779
SMILES CCCC(=O)C1=C(Nc2cccc(c2)[N+](=O)[O-])CC(C(C1=O)C(=O)OC)(C)C
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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 C20H24N2O6 MW 388.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O6/c1-5-7-15(23)16-14(21-12-8-6-9-13(10-12)22(26)27)11-20(2,3)17(18(16)24)19(25)28-4/h6,8-10,17,21H,5,7,11H2,1-4H3InChIKey
FYTFJEFNDXTNGZ-UHFFFAOYSA-NSynonyms
3BUTYRYL66DIMETHYL4(3NITROPHENYLAMINO)2OXOCYCLOHEX3ENECARBOXYLICACIDMETHYLESTER
CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC(=CC=C2)(N+)(=O)(O)
CCCC(=O)C1=C(Nc2cccc(c2)(N+)(=O)(O))CC(C(C1=O)C(=O)OC)(C)C
InChI=1SC20H24N2O6c15715(23)1614(211286913(1012)22(26)27)1120(23)17(18(16)24)19(25)284h68101721H5711H214H3
methyl3butanoyl66dimethyl4((3nitrophenyl)amino)2oxocyclohex3ene1carboxylate
METHYL3BUTANOYL66DIMETHYL4(3NITROANILINO)2OXOCYCLOHEX3ENE1CARBOXYLATE
methyl3butyryl66dimethyl4((3nitrophenyl)amino)2oxocyclohex3enecarboxylate
MFCD00512885
ZINC000100319310
ZINC000100319315
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