Vitas-M small molecule compound
2-chloro-5-{5-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK388400
SMILES O=C1NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccccc1
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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 C21H13ClN2O5 MW 408.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN2O5/c22-17-8-6-12(10-15(17)21(27)28)18-9-7-14(29-18)11-16-19(25)23-24(20(16)26)13-4-2-1-3-5-13/h1-11H,(H,23,25)(H,27,28)/b16-11+InChIKey
BWOAQNUVYKZNFJ-LFIBNONCSA-NSynonyms
2CHLORO5(5((E)(35DIKETO1PHENYLPYRAZOLIDIN4YLIDENE)METHYL)2FURYL)BENZOICACID
2CHLORO5(5((E)(35DIOXO1PHENYL4PYRAZOLIDINYLIDENE)METHYL)2FURANYL)BENZOICACID
2CHLORO5(5((E)(35DIOXO1PHENYLPYRAZOLIDIN4YLIDENE)METHYL)2FURYL)BENZOICACID
2CHLORO5(5((E)(35DIOXO1PHENYLPYRAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOICACID
5(5((E)(35BIS(OXIDANYLIDENE)1PHENYLPYRAZOLIDIN4YLIDENE)METHYL)FURAN2YL)2CHLORANYLBENZOICACID
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=O)N2
InChI=1SC21H13ClN2O5c22178612(1015(17)21(27)28)189714(2918)111619(25)2324(20(16)26)134213513h111H(H2325)(H2728)b1611+
MFCD01446184
O=C1NN(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccccc1
ZINC4156777
Check stock
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Check stock on Vitas-MAvailable files
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