Vitas-M small molecule compound
2-(5-{(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL330534
SMILES Fc1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)c2ccccc2C(=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 C21H13FN2O5 MW 392.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13FN2O5/c22-12-5-7-13(8-6-12)24-20(26)17(19(25)23-24)11-14-9-10-18(29-14)15-3-1-2-4-16(15)21(27)28/h1-11H,(H,23,25)(H,27,28)/b17-11-InChIKey
PHTIJOUIKGXYFG-BOPFTXTBSA-NSynonyms
(Z)2(5((1(4fluorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoicacid
2(5((Z)(1(4fluorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoicacid
C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)F)C(=O)O
Fc1ccc(cc1)N1NC(=O)C(=Cc2ccc(o2)c2ccccc2C(=O)O)C1=O
InChI=1SC21H13FN2O5c22125713(8612)2420(26)17(19(25)2324)111491018(2914)15312416(15)21(27)28h111H(H2325)(H2728)b1711
MFCD02614682
ZINC000013810085
ZINC13810085
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