Vitas-M small molecule compound
methyl (5Z)-2,2-dimethyl-5-{[(4-nitrophenyl)amino]methylidene}-4,6-dioxocyclohexanecarboxylate
Catalog ID
STK835254
SMILES COC(=O)C1C(=O)/C(=C\Nc2ccc(cc2)[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)9-18-10-4-6-11(7-5-10)19(23)24/h4-7,9,14,18H,8H2,1-3H3/b12-9-InChIKey
TWUFVOIVSIRBNQ-XFXZXTDPSA-NSynonyms
(Z)methyl22dimethyl5(((4nitrophenyl)amino)methylene)46dioxocyclohexanecarboxylate
CC1(CC(=O)C(=CNC2=CC=C(C=C2)(N+)(=O)(O))C(=O)C1C(=O)OC)C
COC(=O)C1C(=O)C(=CNc2ccc(cc2)(N+)(=O)(O))C(=O)CC1(C)C
InChI=1SC17H18N2O6c117(2)813(20)12(15(21)14(17)16(22)253)918104611(7510)19(23)24h4791418H8H213H3b129
METHYL(5E)22DIMETHYL5(((4NITROPHENYL)AMINO)METHYLIDENE)46DIOXOCYCLOHEXANE1CARBOXYLATE
methyl(5Z)22dimethyl5(((4nitrophenyl)amino)methylidene)46dioxocyclohexanecarboxylate
METHYL(5Z)22DIMETHYL5((4NITROANILINO)METHYLIDENE)46DIOXOCYCLOHEXANE1CARBOXYLATE
MFCD00512963
ZINC000100737536
ZINC000100737539
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