Vitas-M small molecule compound
methyl 2-{(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}benzoate
Catalog ID
STL431170
SMILES COC(=O)c1ccccc1/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)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 C20H18N2O4 MW 350.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O4/c1-12-8-9-15(10-13(12)2)22-19(24)17(18(23)21-22)11-14-6-4-5-7-16(14)20(25)26-3/h4-11H,1-3H3,(H,21,23)/b17-11-InChIKey
FAXIBLLLAPXVGG-BOPFTXTBSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3C(=O)OC)C(=O)N2)C
COC(=O)c1ccccc1C=C1C(=O)NN(C1=O)c1ccc(c(c1)C)C
InChI=1SC20H18N2O4c1128915(1013(12)2)2219(24)17(18(23)2122)1114645716(14)20(25)263h411H13H3(H2123)b1711
methyl2((Z)(1(34dimethylphenyl)35dioxopyrazolidin4ylidene)methyl)benzoate
MFCD01446203
ZINC000005618129
ZINC05618129
ZINC5618129
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