Vitas-M small molecule compound

methyl 2-chloro-5-(5-{(Z)-[1-(4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

Catalog ID
STL444174
SMILES COC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)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 C23H17ClN2O5 MW 436.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O5/c1-13-3-6-15(7-4-13)26-22(28)18(21(27)25-26)12-16-8-10-20(31-16)14-5-9-19(24)17(11-14)23(29)30-2/h3-12H,1-2H3,(H,25,27)/b18-12-
InChIKey
BHVYVPKZWPLXFB-PDGQHHTCSA-N
Synonyms

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)OC)C(=O)N2
COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(cc1)C
InChI=1SC23H17ClN2O5c1133615(7413)2622(28)18(21(27)2526)121681020(3116)145919(24)17(1114)23(29)302h312H12H3(H2527)b1812
methyl2chloro5(5((Z)(1(4methylphenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
MFCD01158428
ZINC000013602601
ZINC13602601

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Available files

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