Vitas-M small molecule compound

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

Catalog ID
STK674448
SMILES Brc1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)/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 C21H12BrClN2O5 MW 487.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrClN2O5/c22-12-2-4-13(5-3-12)25-20(27)16(19(26)24-25)10-14-6-8-18(30-14)11-1-7-17(23)15(9-11)21(28)29/h1-10H,(H,24,26)(H,28,29)/b16-10-
InChIKey
WLQQMFYMGLVBFP-YBEGLDIGSA-N
Synonyms

5(5((Z)(1(4bromophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)2chlorobenzoicacid
Brc1ccc(cc1)N1NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)C(=O)O)Cl)C1=O
C1=CC(=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=O)N2)Br
InChI=1SC21H12BrClN2O5c22122413(5312)2520(27)16(19(26)2425)10146818(3014)111717(23)15(911)21(28)29h110H(H2426)(H2829)b1610
MFCD01158471
ZINC000008853430
ZINC8853430

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Available files

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