Vitas-M small molecule compound

3-(5-{(Z)-[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STL431929
SMILES CCc1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)c2cccc(c2)C(=O)O)/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 C23H18N2O5 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O5/c1-2-14-6-8-17(9-7-14)25-22(27)19(21(26)24-25)13-18-10-11-20(30-18)15-4-3-5-16(12-15)23(28)29/h3-13H,2H2,1H3,(H,24,26)(H,28,29)/b19-13-
InChIKey
PNAYHTGDQDTYEQ-UYRXBGFRSA-N
Synonyms

3(5((Z)(1(4ethylphenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoicacid
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)N2
CCc1ccc(cc1)N1NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)O)C1=O
InChI=1SC23H18N2O5c12146817(9714)2522(27)19(21(26)2425)1318101120(3018)1543516(1215)23(28)29h313H2H21H3(H2426)(H2829)b1913
MFCD01785244
ZINC000004656192
ZINC4656192

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Available files

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