Vitas-M small molecule compound
methyl 4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
Catalog ID
STK022876
SMILES COC(=O)c1ccc(cc1)/C=C/1\C(=O)NN(C1=O)c1ccccc1
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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 C18H14N2O4 MW 322.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O4/c1-24-18(23)13-9-7-12(8-10-13)11-15-16(21)19-20(17(15)22)14-5-3-2-4-6-14/h2-11H,1H3,(H,19,21)/b15-11+InChIKey
XYMCIPBCXLLKOA-RVDMUPIBSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3
COC(=O)c1ccc(cc1)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC18H14N2O4c12418(23)139712(81013)111516(21)1920(17(15)22)145324614h211H1H3(H1921)b1511+
METHYL4((E)(35DIOXO1PHENYLPYRAZOLIDIN4YLIDENE)METHYL)BENZOATE
MFCD02614924
STK022876
ZINC000002901703
ZINC02901703
ZINC2901703
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