Vitas-M small molecule compound

methyl 4-[(4Z)-4-(4-methylbenzylidene)-3,5-dioxopyrazolidin-1-yl]benzoate

Catalog ID
STL432600
SMILES COC(=O)c1ccc(cc1)N1NC(=O)/C(=C/c2ccc(cc2)C)/C1=O

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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 C19H16N2O4 MW 336.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O4/c1-12-3-5-13(6-4-12)11-16-17(22)20-21(18(16)23)15-9-7-14(8-10-15)19(24)25-2/h3-11H,1-2H3,(H,20,22)/b16-11-
InChIKey
OTCIBDPKBRIZAJ-WJDWOHSUSA-N
Synonyms

CC1=CC=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)N1NC(=O)C(=Cc2ccc(cc2)C)C1=O
InChI=1SC19H16N2O4c1123513(6412)111617(22)2021(18(16)23)159714(81015)19(24)252h311H12H3(H2022)b1611
METHYL4((4Z)4((4METHYLPHENYL)METHYLIDENE)35DIOXOPYRAZOLIDIN1YL)BENZOATE
methyl4((4Z)4(4methylbenzylidene)35dioxopyrazolidin1yl)benzoate
METHYL4(4(4METHYLBENZYLIDENE)35DIOXO1PYRAZOLIDINYL)BENZOATE
MFCD02951146
ZINC000000356529
ZINC00356529
ZINC356529

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Available files

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