Vitas-M small molecule compound
2-chloro-5-(5-{(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK674449
SMILES O=C1NN(C(=O)/C/1=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccc(c(c1)C)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 C23H17ClN2O5 MW 436.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O5/c1-12-3-5-15(9-13(12)2)26-22(28)18(21(27)25-26)11-16-6-8-20(31-16)14-4-7-19(24)17(10-14)23(29)30/h3-11H,1-2H3,(H,25,27)(H,29,30)/b18-11-InChIKey
LPXDURNSEICMKK-WQRHYEAKSA-NSynonyms
2CHLORO5(5((Z)(1(34DIMETHYLPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)2FURYL)BENZOICACID
2chloro5(5((Z)(1(34dimethylphenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoicacid
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=O)N2)C
InChI=1SC23H17ClN2O5c1123515(913(12)2)2622(28)18(21(27)2526)11166820(3116)144719(24)17(1014)23(29)30h311H12H3(H2527)(H2930)b1811
MFCD01158468
O=C1NN(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccc(c(c1)C)C
ZINC000008853432
ZINC8853432
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