Vitas-M small molecule compound
methyl (5E)-5-[1-(benzylamino)propylidene]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Catalog ID
STK700301
SMILES COC(=O)C1C(=O)/C(=C(/NCc2ccccc2)\CC)/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 C20H25NO4 MW 343.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO4/c1-5-14(21-12-13-9-7-6-8-10-13)16-15(22)11-20(2,3)17(18(16)23)19(24)25-4/h6-10,17,21H,5,11-12H2,1-4H3/b16-14+InChIKey
YWRXBOALWGWFEC-JQIJEIRASA-NSynonyms
(E)methyl5(1(benzylamino)propylidene)22dimethyl46dioxocyclohexanecarboxylate
5(1BENZYLAMINOPROP(E)YLIDENE)22DIMETHYL46DIOXOCYCLOHEXANECARBOXYLICACIDMETHYLESTER
CCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NCC2=CC=CC=C2
COC(=O)C1C(=O)C(=C(NCc2ccccc2)CC)C(=O)CC1(C)C
InChI=1SC20H25NO4c1514(21121397681013)1615(22)1120(23)17(18(16)23)19(24)254h6101721H51112H214H3b1614+
METHYL(5E)5(1(BENZYLAMINO)PROPYLIDENE)22DIMETHYL46DIOXOCYCLOHEXANE1CARBOXYLATE
methyl(5E)5(1(benzylamino)propylidene)22dimethyl46dioxocyclohexanecarboxylate
MFCD01130097
ZINC000100739493
ZINC000100739496
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