Vitas-M small molecule compound
methyl 2,2-dimethyl-4,6-dioxo-5-[(2E)-3-phenylprop-2-enoyl]cyclohexanecarboxylate
Catalog ID
STL524533
SMILES COC(=O)C1C(=O)C(C(=O)/C=C/c2ccccc2)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 C19H20O5 MW 328.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20O5/c1-19(2)11-14(21)15(17(22)16(19)18(23)24-3)13(20)10-9-12-7-5-4-6-8-12/h4-10,15-16H,11H2,1-3H3/b10-9+InChIKey
FNNWAQYAEWAHFA-MDZDMXLPSA-NSynonyms
5718935
COC(=O)C1C(=O)C(C(=O)C=Cc2ccccc2)C(=O)CC1(C)C
InChI=1SC19H20O5c119(2)1114(21)15(17(22)16(19)18(23)243)13(20)109127546812h4101516H11H213H3b109+
methyl22dimethyl46dioxo5((~(E))3phenylprop2enoyl)cyclohexane1carboxylate
methyl22dimethyl46dioxo5((2E)3phenylprop2enoyl)cyclohexanecarboxylate
METHYL22DIMETHYL46DIOXO5((E)3PHENYLPROP2ENOYL)CYCLOHEXANE1CARBOXYLATE
METHYL5((2E)3PHENYLPROP2ENOYL)22DIMETHYL46DIOXOCYCLOHEXANECARBOXYLATE
methyl5cinnamoyl22dimethyl46dioxocyclohexanecarboxylate
MFCD00517618
ZINC000100319733
ZINC000100319748
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