Vitas-M small molecule compound

3-(5-{(E)-[1-(3,4-dichlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid

Catalog ID
STL295945
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=C/1\C(=O)NN(C1=O)c1ccc(c(c1)Cl)Cl)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 C22H14Cl2N2O5 MW 457.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14Cl2N2O5/c1-11-2-3-12(22(29)30)8-15(11)19-7-5-14(31-19)10-16-20(27)25-26(21(16)28)13-4-6-17(23)18(24)9-13/h2-10H,1H3,(H,25,27)(H,29,30)/b16-10+
InChIKey
DOOWRNVPEIRISE-MHWRWJLKSA-N
Synonyms

3(5((E)(1(34dichlorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)4methylbenzoicacid
CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC(=C(C=C4)Cl)Cl
InChI=1SC22H14Cl2N2O5c1112312(22(29)30)815(11)197514(3119)101620(27)2526(21(16)28)134617(23)18(24)913h210H1H3(H2527)(H2930)b1610+
MFCD28033226
OC(=O)c1ccc(c(c1)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(c(c1)Cl)Cl)C
ZINC000095471143
ZINC95471143

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Available files

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