Vitas-M small molecule compound
4-chloro-3-{5-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK165437
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=C\1/NC(=O)N(C1=O)c1ccccc1)Cl
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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/c22-16-8-6-12(20(26)27)10-15(16)18-9-7-14(29-18)11-17-19(25)24(21(28)23-17)13-4-2-1-3-5-13/h1-11H,(H,23,28)(H,26,27)/b17-11+InChIKey
OAAZJFNGMVIBKG-GZTJUZNOSA-NSynonyms
4CHLORO3(5((E)(25DIOXO1PHENYLIMIDAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)NC2=O
InChI=1SC21H13ClN2O5c22168612(20(26)27)1015(16)189714(2918)111719(25)24(21(28)2317)134213513h111H(H2328)(H2627)b1711+
MFCD03696756
OC(=O)c1ccc(c(c1)c1ccc(o1)C=C1NC(=O)N(C1=O)c1ccccc1)Cl
ZINC000004702382
ZINC4702382
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