Vitas-M small molecule compound
methyl (5E)-2,2-dimethyl-5-{[(3-nitrophenyl)amino]methylidene}-4,6-dioxocyclohexanecarboxylate
Catalog ID
STK805403
SMILES COC(=O)C1C(=O)/C(=C/Nc2cccc(c2)[N+](=O)[O-])/C(=O)CC1(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 C17H18N2O6 MW 346.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O6/c1-17(2)8-13(20)12(15(21)14(17)16(22)25-3)9-18-10-5-4-6-11(7-10)19(23)24/h4-7,9,14,18H,8H2,1-3H3/b12-9+InChIKey
QTQAXYDCNKGTPR-FMIVXFBMSA-NSynonyms
(Z)methyl22dimethyl5(((3nitrophenyl)amino)methylene)46dioxocyclohexanecarboxylate
CC1(CC(=O)C(=CNC2=CC(=CC=C2)(N+)(=O)(O))C(=O)C1C(=O)OC)C
COC(=O)C1C(=O)C(=CNc2cccc(c2)(N+)(=O)(O))C(=O)CC1(C)C
InChI=1SC17H18N2O6c117(2)813(20)12(15(21)14(17)16(22)253)9181054611(710)19(23)24h4791418H8H213H3b129+
methyl(5E)22dimethyl5(((3nitrophenyl)amino)methylidene)46dioxocyclohexanecarboxylate
METHYL(5E)22DIMETHYL5((3NITROANILINO)METHYLIDENE)46DIOXOCYCLOHEXANE1CARBOXYLATE
METHYL66DIMETHYL3(((3NITROPHENYL)AMINO)METHYLENE)24DIOXOCYCLOHEXANECARBOXYLATE
MFCD00564101
ZINC000100318948
ZINC000100318950
ZINC000101144937
ZINC000101144940
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